[3-methyl-4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C15H17N5O2S2 MolecularWeight: 363.45778

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C15H17N5O2S2/c1-3-6-20-14(22)18-19-15(20)23-8-13(21)17-12-5-4-11(24-9-16)7-10(12)2/h4-5,7H,3,6,8H2,1-2H3,(H,17,21)(H,18,22)