2-[(3-tert-butyl-7-chloranyl-4-oxidanylidene-5H-1,3-benzodiazepin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(3-tert-butyl-7-chloranyl-4-oxidanylidene-5H-1,3-benzodiazepin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(3-tert-butyl-7-chloro-4-oxo-5H-1,3-benzodiazepin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(3-tert-butyl-7-chloro-4-oxo-5H-1,3-benzodiazepin-2-yl)thio]acetonitrile IUPAC Name: 2-[(3-tert-butyl-7-chloro-4-oxo-5H-1,3-benzodiazepin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-tert-butyl-7-chloro-4-keto-5H-1,3-benzodiazepin-2-yl)thio]acetonitrile Formula: C15H16ClN3OS MolecularWeight: 321.82504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)CC2=C(C=CC(=C2)Cl)N=C1SCC#N

Isomeric SMILES

CC(C)(C)N1C(=O)CC2=C(C=CC(=C2)Cl)N=C1SCC#N

InChI

InChI=1S/C15H16ClN3OS/c1-15(2,3)19-13(20)9-10-8-11(16)4-5-12(10)18-14(19)21-7-6-17/h4-5,8H,7,9H2,1-3H3