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

Systemtic Name: N-butan-2-yl-2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5OS/c1-4-16(3)25-21(29)14-30-23-27-26-22(28(23)17-9-7-8-15(2)12-17)19-13-24-20-11-6-5-10-18(19)20/h5-13,16,26H,4,14H2,1-3H3,(H,25,29)/b22-19-