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

Systemtic Name: [4-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-cyclopropyl-4-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(N2C)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(N2C)C3CC3

InChI

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