8-methyl-2-phenyl-5-(phenylmethyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one

Systemtic Name: 8-methyl-2-phenyl-5-(phenylmethyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Openeye Name: 5-benzyl-8-methyl-2-phenyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one CAS Name: 8-methyl-2-phenyl-5-(phenylmethyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one IUPAC Name: 5-benzyl-8-methyl-2-phenyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Traditional Name: 5-benzyl-8-methyl-2-phenyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=N1)N(CCC(S2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C=N1)N(CCC(S2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-23-21(25)20-18(14-22-23)24(15-16-8-4-2-5-9-16)13-12-19(26-20)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3