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

Systemtic Name: [3-methyl-4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl] ester Formula: C18H15N5OS2 MolecularWeight: 381.4746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H15N5OS2/c1-13-9-15(26-11-19)7-8-16(13)21-17(24)10-25-18-22-20-12-23(18)14-5-3-2-4-6-14/h2-9,12H,10H2,1H3,(H,21,24)