1-(2-phenethyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)propan-2-one

Systemtic Name: 1-(2-phenethyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)propan-2-one Openeye Name: 1-(2-phenethyl-3-thioxo-1H-1,2,4-triazol-5-yl)propan-2-one CAS Name: 1-(2-phenethyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)-2-propanone IUPAC Name: 1-(2-phenethyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)propan-2-one Traditional Name: 1-(2-phenethyl-3-thioxo-1H-1,2,4-triazol-5-yl)acetone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=S)N(N1)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1=NC(=S)N(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3OS/c1-10(17)9-12-14-13(18)16(15-12)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,14,15,18)