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

Systemtic Name: N-aminocarbonyl-2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[(5Z)-5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SC(C)C(=O)NC(=O)N

InChI

InChI=1S/C21H20N6O2S/c1-12-7-3-6-10-17(12)27-18(15-11-23-16-9-5-4-8-14(15)16)25-26-21(27)30-13(2)19(28)24-20(22)29/h3-11,13,25H,1-2H3,(H3,22,24,28,29)/b18-15-