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

Systemtic Name: [3-methyl-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl] ester Formula: C16H13N5OS3 MolecularWeight: 387.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H13N5OS3/c1-10-7-11(25-9-17)4-5-12(10)18-14(22)8-24-16-19-15(20-21-16)13-3-2-6-23-13/h2-7H,8H2,1H3,(H,18,22)(H,19,20,21)