5-azanylidene-2-(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)-4-phenyl-3-sulfanylidene-1,2,4-triazine-6-carbonitrile

Systemtic Name: 5-azanylidene-2-(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)-4-phenyl-3-sulfanylidene-1,2,4-triazine-6-carbonitrile Openeye Name: 2-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophen-2-yl)-5-imino-4-phenyl-3-thioxo-1,2,4-triazine-6-carbonitrile CAS Name: 2-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)-5-imino-4-phenyl-3-sulfanylidene-1,2,4-triazine-6-carbonitrile IUPAC Name: 2-(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)-5-imino-4-phenyl-3-sulfanylidene-1,2,4-triazine-6-carbonitrile Traditional Name: 2-(3-cyano-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophen-2-yl)-5-imino-4-phenyl-3-thioxo-1,2,4-triazine-6-carbonitrile Formula: C21H16N6OS2 MolecularWeight: 432.52134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=C2C#N)N3C(=S)N(C(=N)C(=N3)C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=C2C#N)N3C(=S)N(C(=N)C(=N3)C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C21H16N6OS2/c1-21(2)8-13-14(10-22)19(30-17(13)16(28)9-21)27-20(29)26(12-6-4-3-5-7-12)18(24)15(11-23)25-27/h3-7,24H,8-9H2,1-2H3