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

Systemtic Name: [3-methyl-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C13H12N4OS3 MolecularWeight: 336.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(S2)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(S2)C

InChI

InChI=1S/C13H12N4OS3/c1-8-5-10(20-7-14)3-4-11(8)15-12(18)6-19-13-17-16-9(2)21-13/h3-5H,6H2,1-2H3,(H,15,18)