N-[3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]amino]phenyl]thiophene-2-carboxamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H17N5O2S2/c27-19(15-8-6-14(7-9-15)12-30-21-22-13-23-26-21)24-16-3-1-4-17(11-16)25-20(28)18-5-2-10-29-18/h1-11,13H,12H2,(H,24,27)(H,25,28)(H,22,23,26)