3-methyl-4-(4-methylphenyl)-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3-methyl-4-(4-methylphenyl)-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-1-phenyl-4-(p-tolyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-(4-methylphenyl)-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-4-(4-methylphenyl)-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-1-phenyl-4-(p-tolyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N3OS/c1-13-8-10-15(11-9-13)19-18-14(2)22-23(16-6-4-3-5-7-16)20(18)21-17(24)12-25-19/h3-11,19,22H,12H2,1-2H3