3-(7,8-dimethoxy-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(7,8-dimethoxy-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7,8-dimethoxy-2-thioxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7,8-dimethoxy-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7,8-dimethoxy-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(7,8-dimethoxy-2-thioxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NCC(=S)N2)C3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NCC(=S)N2)C3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C18H15N3O2S/c1-22-15-7-13-14(8-16(15)23-2)21-17(24)10-20-18(13)12-5-3-4-11(6-12)9-19/h3-8H,10H2,1-2H3,(H,21,24)