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

Systemtic Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Openeye Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one CAS Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)-3'-phenyl-5-spiro[2,3-dihydro-1-benzothiepin-4,5'-4H-pyrazole]one IUPAC Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)-3'-phenylspiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Traditional Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-chlorophenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepin-4,5'-2-pyrazoline]-5-one Formula: C30H22Cl2N2OS MolecularWeight: 529.47948

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H22Cl2N2OS/c31-22-15-13-20(14-16-22)27-28(21-7-2-1-3-8-21)33-34(24-10-6-9-23(32)19-24)30(27)17-18-36-26-12-5-4-11-25(26)29(30)35/h1-16,19,27H,17-18H2/t27-,30-/m1/s1