2-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C21H19N5O2S3 MolecularWeight: 469.60286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H19N5O2S3/c1-13(19(28)23-20-15(17(22)27)9-11-30-20)31-21-25-24-18(16-8-5-10-29-16)26(21)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H2,22,27)(H,23,28)