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

Systemtic Name: [3-methyl-4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C15H17N5OS2 MolecularWeight: 347.45838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=CN2C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=CN2C(C)C

InChI

InChI=1S/C15H17N5OS2/c1-10(2)20-9-17-19-15(20)22-7-14(21)18-13-5-4-12(23-8-16)6-11(13)3/h4-6,9-10H,7H2,1-3H3,(H,18,21)