(2E,3E)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]propanenitrile

Systemtic Name: (2E,3E)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]propanenitrile Openeye Name: (2E,3E)-3-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-thiazol-2-ylidene]propanenitrile CAS Name: (2E,3E)-3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-[4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3H-thiazol-2-ylidene]propanenitrile IUPAC Name: (2E,3E)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]propanenitrile Traditional Name: (2E,3E)-3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-[4-[[(1-phenyltetrazol-5-yl)thio]methyl]-4-thiazolin-2-ylidene]propionitrile Formula: C21H16N6O2S2 MolecularWeight: 448.52074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC(=CS2)CSC3=NN=NN3C4=CC=CC=C4)C#N)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/C(=C\2/NC(=CS2)CSC3=NN=NN3C4=CC=CC=C4)/C#N)/C=CC1=O

InChI

InChI=1S/C21H16N6O2S2/c1-29-19-10-14(7-8-18(19)28)9-15(11-22)20-23-16(12-30-20)13-31-21-24-25-26-27(21)17-5-3-2-4-6-17/h2-10,12,23H,13H2,1H3/b14-9+,20-15+