2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)C(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN5OS/c1-3-27(4-2)20(29)14-30-22-26-25-21(28(22)16-11-9-15(23)10-12-16)18-13-24-19-8-6-5-7-17(18)19/h5-13,25H,3-4,14H2,1-2H3