2-[(3-ethyl-7-methoxy-4-sulfanylidene-5H-1,3-benzodiazepin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(3-ethyl-7-methoxy-4-sulfanylidene-5H-1,3-benzodiazepin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(3-ethyl-7-methoxy-4-thioxo-5H-1,3-benzodiazepin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(3-ethyl-7-methoxy-4-sulfanylidene-5H-1,3-benzodiazepin-2-yl)thio]acetonitrile IUPAC Name: 2-[(3-ethyl-7-methoxy-4-sulfanylidene-5H-1,3-benzodiazepin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-ethyl-7-methoxy-4-thioxo-5H-1,3-benzodiazepin-2-yl)thio]acetonitrile Formula: C14H15N3OS2 MolecularWeight: 305.4184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)CC2=C(C=CC(=C2)OC)N=C1SCC#N

Isomeric SMILES

CCN1C(=S)CC2=C(C=CC(=C2)OC)N=C1SCC#N

InChI

InChI=1S/C14H15N3OS2/c1-3-17-13(19)9-10-8-11(18-2)4-5-12(10)16-14(17)20-7-6-15/h4-5,8H,3,7,9H2,1-2H3