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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC(=O)NC3CC3

InChI

InChI=1S/C16H20N6O2S/c1-9-3-5-11(6-4-9)13-20-21-16(22(13)17)25-10(2)14(23)19-15(24)18-12-7-8-12/h3-6,10,12H,7-8,17H2,1-2H3,(H2,18,19,23,24)