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

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O2S/c1-7-3-5-9(6-4-7)10-17-18-13(19(10)15)22-8(2)11(20)16-12(14)21/h3-6,8H,15H2,1-2H3,(H3,14,16,20,21)