6-methyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: 6-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NCC3=C(N=CC=C3)N4C=NC=N4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NCC3=C(N=CC=C3)N4C=NC=N4)C=C1

InChI

InChI=1S/C18H17N5OS/c1-12-4-5-13-8-16(25-15(13)7-12)18(24)21-9-14-3-2-6-20-17(14)23-11-19-10-22-23/h2-7,10-11,16H,8-9H2,1H3,(H,21,24)