2-azanyl-10-methyl-7,7-bis(oxidanylidene)-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile

Systemtic Name: 2-azanyl-10-methyl-7,7-bis(oxidanylidene)-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile Openeye Name: 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile CAS Name: 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile IUPAC Name: 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile Traditional Name: 2-amino-7,7-diketo-10-methyl-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(N=C(C(=C32)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(N=C(C(=C32)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-13-7-8-18-16(11-13)19-15(9-10-27(18,25)26)20(14-5-3-2-4-6-14)24-21(23)17(19)12-22/h2-8,11H,9-10H2,1H3,(H2,23,24)