2-azanyl-10-methyl-7,7-bis(oxidanylidene)-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-10-methyl-7,7-bis(oxidanylidene)-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile Openeye Name: 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile CAS Name: 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile IUPAC Name: 2-amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile Traditional Name: 2-amino-7,7-diketo-10-methyl-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-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=C2N=C(C(=C3C4=CC=CC=C4)C#N)N

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2N=C(C(=C3C4=CC=CC=C4)C#N)N

InChI

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