2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H20ClN5OS/c23-15-7-9-16(10-8-15)28-21(18-13-24-19-6-2-1-5-17(18)19)25-26-22(28)30-14-20(29)27-11-3-4-12-27/h1-2,5-10,13,25H,3-4,11-12,14H2/b21-18-