N-(pyridin-4-ylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(pyridin-4-ylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(4-pyridylmethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(pyridin-4-ylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(pyridin-4-ylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-pyridylmethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C15H15N5OS2 MolecularWeight: 345.4425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C15H15N5OS2/c21-13(17-10-11-3-6-16-7-4-11)5-8-20-14(18-19-15(20)22)12-2-1-9-23-12/h1-4,6-7,9H,5,8,10H2,(H,17,21)(H,19,22)