2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-allyl-5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-allyl-5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H15BrN4OS MolecularWeight: 427.3176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H15BrN4OS/c1-2-9-24-18(16-10-15(20)7-8-17(16)25)22-23-19(24)26-12-14-6-4-3-5-13(14)11-21/h2-8,10,22H,1,9,12H2