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

Systemtic Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-13(2)24-19(28)12-29-21-26-25-20(27(21)15-9-7-14(22)8-10-15)17-11-23-18-6-4-3-5-16(17)18/h3-11,13,25H,12H2,1-2H3,(H,24,28)/b20-17-