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

Systemtic Name: [4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C14H14N4OS4 MolecularWeight: 382.54716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CCSC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C14H14N4OS4/c1-3-20-13-17-18-14(23-13)21-7-12(19)16-11-5-4-10(22-8-15)6-9(11)2/h4-6H,3,7H2,1-2H3,(H,16,19)