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

Systemtic Name: [3-methyl-4-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]phenyl] ester Formula: C13H12N4OS4 MolecularWeight: 368.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS4/c1-8-5-9(21-7-14)3-4-10(8)15-11(18)6-20-13-17-16-12(19-2)22-13/h3-5H,6H2,1-2H3,(H,15,18)