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

Systemtic Name: [3-methyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl] ester Formula: C13H13N5OS2 MolecularWeight: 319.40522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5OS2/c1-9-5-10(21-7-14)3-4-11(9)16-12(19)6-20-13-17-15-8-18(13)2/h3-5,8H,6H2,1-2H3,(H,16,19)