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

Systemtic Name: N-aminocarbonyl-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: N-carbamoyl-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H17N5O2S2/c1-11(15(23)19-16(18)24)26-17-21-20-14(13-8-5-9-25-13)22(17)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H3,18,19,23,24)