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

Systemtic Name: 4-(4-methoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-methoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-methoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-methoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-methoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H19N3O2S/c1-13-18-19(14-8-10-16(25-2)11-9-14)26-12-17(24)21-20(18)23(22-13)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3