N-(3-acetamidophenyl)-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C20H22N6O2S/c1-12-7-9-15(10-8-12)18-24-25-20(26(18)21)29-13(2)19(28)23-17-6-4-5-16(11-17)22-14(3)27/h4-11,13H,21H2,1-3H3,(H,22,27)(H,23,28)