4-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H19N5O2S/c1-12-5-3-4-6-16(12)24-11-21-23-19(24)27-13(2)18(26)22-15-9-7-14(8-10-15)17(20)25/h3-11,13H,1-2H3,(H2,20,25)(H,22,26)