N-[(2-methoxypyridin-4-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[(2-methoxypyridin-4-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(2-methoxy-4-pyridyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(2-methoxy-4-pyridinyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(2-methoxypyridin-4-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[(2-methoxy-4-pyridyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

COC1=NC=CC(=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H17N5O2S2/c1-23-14-9-11(4-6-17-14)10-18-13(22)5-7-21-15(19-20-16(21)24)12-3-2-8-25-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,18,22)(H,20,24)