(4R,4'S)-4'-(4-methylphenyl)-1',3'-diphenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one

Systemtic Name: (4R,4'S)-4'-(4-methylphenyl)-1',3'-diphenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Openeye Name: (4R,4'S)-1',3'-diphenyl-4'-(p-tolyl)spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one CAS Name: (4R,4'S)-4'-(4-methylphenyl)-1',3'-diphenyl-5-spiro[2,3-dihydro-1-benzothiepin-4,5'-4H-pyrazole]one IUPAC Name: (4R,4'S)-4'-(4-methylphenyl)-1',3'-diphenylspiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Traditional Name: (4R,4'S)-1',3'-diphenyl-4'-(p-tolyl)spiro[2,3-dihydro-1-benzothiepin-4,5'-2-pyrazoline]-5-one Formula: C31H26N2OS MolecularWeight: 474.61594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=NN(C23CCSC4=CC=CC=C4C3=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=NN([C@]23CCSC4=CC=CC=C4C3=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H26N2OS/c1-22-16-18-23(19-17-22)28-29(24-10-4-2-5-11-24)32-33(25-12-6-3-7-13-25)31(28)20-21-35-27-15-9-8-14-26(27)30(31)34/h2-19,28H,20-21H2,1H3/t28-,31-/m1/s1