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

Systemtic Name: 3-methyl-4-phenyl-1-(1-phenylethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-4-phenyl-1-(1-phenylethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-phenyl-1-(1-phenylethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-4-phenyl-1-(1-phenylethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-4-phenyl-1-(1-phenylethyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-14-19-20(17-11-7-4-8-12-17)26-13-18(25)22-21(19)24(23-14)15(2)16-9-5-3-6-10-16/h3-12,15,20,23H,13H2,1-2H3