[4-[[5-methyl-1-(3-methylphenyl)-1,2,3-triazol-4-yl]carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[[5-methyl-1-(3-methylphenyl)-1,2,3-triazol-4-yl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[[5-methyl-1-(m-tolyl)triazole-4-carbonyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[5-methyl-1-(3-methylphenyl)-4-triazolyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[5-methyl-1-(m-tolyl)triazole-4-carbonyl]amino]phenyl] ester Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)SC#N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)SC#N)C

InChI

InChI=1S/C18H15N5OS/c1-12-4-3-5-15(10-12)23-13(2)17(21-22-23)18(24)20-14-6-8-16(9-7-14)25-11-19/h3-10H,1-2H3,(H,20,24)