[4-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C14H15N5OS2 MolecularWeight: 333.4318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C14H15N5OS2/c1-3-19-9-16-18-14(19)21-7-13(20)17-12-5-4-11(22-8-15)6-10(12)2/h4-6,9H,3,7H2,1-2H3,(H,17,20)