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

Systemtic Name: N-butan-2-yl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-sec-butyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-butan-2-yl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-butan-2-yl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-sec-butyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C13H18N4OS2 MolecularWeight: 310.43822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C13H18N4OS2/c1-3-9(2)14-11(18)6-7-17-12(15-16-13(17)19)10-5-4-8-20-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,18)(H,16,19)