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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5OS/c1-22(2,3)25-19(29)13-30-21-27-26-20(28(21)15-10-8-14(23)9-11-15)17-12-24-18-7-5-4-6-16(17)18/h4-12,26H,13H2,1-3H3,(H,25,29)/b20-17-