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

Systemtic Name: (4R,4'S)-4'-(4-chlorophenyl)-1',3'-diphenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Openeye Name: (4R,4'S)-4'-(4-chlorophenyl)-1',3'-diphenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one CAS Name: (4R,4'S)-4'-(4-chlorophenyl)-1',3'-diphenyl-5-spiro[2,3-dihydro-1-benzothiepin-4,5'-4H-pyrazole]one IUPAC Name: (4R,4'S)-4'-(4-chlorophenyl)-1',3'-diphenylspiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Traditional Name: (4R,4'S)-4'-(4-chlorophenyl)-1',3'-diphenyl-spiro[2,3-dihydro-1-benzothiepin-4,5'-2-pyrazoline]-5-one Formula: C30H23ClN2OS MolecularWeight: 495.03442

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C13C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)[C@]13[C@@H](C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C30H23ClN2OS/c31-23-17-15-21(16-18-23)27-28(22-9-3-1-4-10-22)32-33(24-11-5-2-6-12-24)30(27)19-20-35-26-14-8-7-13-25(26)29(30)34/h1-18,27H,19-20H2/t27-,30-/m1/s1