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

Systemtic Name: N-(2-acetamidoethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(2-acetamidoethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(2-acetamidoethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(2-acetamidoethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(2-acetamidoethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C13H17N5O2S2 MolecularWeight: 339.43638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CCN1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CC(=O)NCCNC(=O)CCN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C13H17N5O2S2/c1-9(19)14-5-6-15-11(20)4-7-18-12(16-17-13(18)21)10-3-2-8-22-10/h2-3,8H,4-7H2,1H3,(H,14,19)(H,15,20)(H,17,21)