N-[3-[1-(2-cyanoethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[1-(2-cyanoethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[1-(2-cyanoethyl)-3-methyl-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[1-(2-cyanoethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[1-(2-cyanoethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[1-(2-cyanoethyl)-3-methyl-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC(=CC=C2)NC(=O)C)CCC#N

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC(=CC=C2)NC(=O)C)CCC#N

InChI

InChI=1S/C14H15N5OS/c1-10-17-18(8-4-7-15)14(21)19(10)13-6-3-5-12(9-13)16-11(2)20/h3,5-6,9H,4,8H2,1-2H3,(H,16,20)