5-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[[4-[(4-methoxyanilino)-oxomethyl]phenyl]methylthio]-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-[[4-[(4-methoxyphenyl)carbamoyl]benzyl]thio]-1,3,4-thiadiazole-2-thiolate Formula: C17H14N3O2S3- MolecularWeight: 388.50696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)[S-]

InChI

InChI=1S/C17H15N3O2S3/c1-22-14-8-6-13(7-9-14)18-15(21)12-4-2-11(3-5-12)10-24-17-20-19-16(23)25-17/h2-9H,10H2,1H3,(H,18,21)(H,19,23)/p-1