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

Systemtic Name: 2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]thiophene-3-carboxamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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)C4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H21N5O2S2/c1-12(18(27)22-19-15(16(21)26)9-10-28-19)29-20-24-23-17(14-7-8-14)25(20)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H2,21,26)(H,22,27)