(2Z)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3H-1,3-thiazol-2-ylidene]-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propanenitrile

Systemtic Name: (2Z)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3H-1,3-thiazol-2-ylidene]-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (2Z)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3H-thiazol-2-ylidene]-3-(4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (2Z)-2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-3H-thiazol-2-ylidene]-3-(4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (2Z)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3H-1,3-thiazol-2-ylidene]-3-(4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (2Z)-2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-4-thiazolin-2-ylidene]-3-(4-ketocyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C20H13N3OS3 MolecularWeight: 407.53172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CSC(=C(C=C4C=CC(=O)C=C4)C#N)N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CS/C(=C(/C=C4C=CC(=O)C=C4)\C#N)/N3

InChI

InChI=1S/C20H13N3OS3/c21-10-14(9-13-5-7-16(24)8-6-13)19-22-15(11-25-19)12-26-20-23-17-3-1-2-4-18(17)27-20/h1-9,11,22H,12H2/b19-14-