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

Systemtic Name: 3-methyl-4-phenyl-1-(phenylmethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 1-benzyl-3-methyl-4-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-phenyl-1-(phenylmethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1-benzyl-3-methyl-4-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 1-benzyl-3-methyl-4-phenyl-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=C2C(SCC(=O)N=C2N(N1)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-14-18-19(16-10-6-3-7-11-16)25-13-17(24)21-20(18)23(22-14)12-15-8-4-2-5-9-15/h2-11,19,22H,12-13H2,1H3