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

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H16N6O3S/c1-7(11(20)16-12(14)21)23-13-18-17-10(19(13)15)8-3-5-9(22-2)6-4-8/h3-7H,15H2,1-2H3,(H3,14,16,20,21)