S-[5-(4-methylphenyl)carbonylsulfanyl-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[5-(4-methylphenyl)carbonylsulfanyl-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate Openeye Name: S-[5-(4-methylbenzoyl)sulfanyl-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[5-[[(4-methylphenyl)-oxomethyl]thio]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-(4-methylbenzoyl)sulfanyl-1,3,4-thiadiazol-2-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[5-(p-toluoylthio)-1,3,4-thiadiazol-2-yl] ester Formula: C18H14N2O2S3 MolecularWeight: 386.51096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NN=C(S2)SC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NN=C(S2)SC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H14N2O2S3/c1-11-3-7-13(8-4-11)15(21)23-17-19-20-18(25-17)24-16(22)14-9-5-12(2)6-10-14/h3-10H,1-2H3