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

Systemtic Name: N-aminocarbonyl-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoyl-propanamide CAS Name: N-carbamoyl-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-carbamoyl-propionamide Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC(=O)N

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC(=O)N

InChI

InChI=1S/C14H17N5O2S/c1-9(12(20)16-13(15)21)22-14-18-17-10(2)19(14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H3,15,16,20,21)