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

Systemtic Name: [4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(N2C3CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(N2C3CC3)C

InChI

InChI=1S/C16H17N5OS2/c1-10-7-13(24-9-17)5-6-14(10)18-15(22)8-23-16-20-19-11(2)21(16)12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,18,22)