N-[6-(dimethylamino)pyridin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[6-(dimethylamino)-3-pyridyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[6-(dimethylamino)pyridin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[6-(dimethylamino)-3-pyridyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C17H18N6OS/c1-23(2)15-8-7-14(9-18-15)21-16(24)13-5-3-12(4-6-13)10-25-17-19-11-20-22-17/h3-9,11H,10H2,1-2H3,(H,21,24)(H,19,20,22)