2-[[5-(diphenylmethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(diphenylmethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[(5-benzhydrylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[[5-[(diphenylmethyl)thio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5-benzhydrylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[[5-(benzhydrylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H17N3O3S2/c27-20(17-13-7-8-14-18(17)21(28)29)24-22-25-26-23(31-22)30-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,28,29)(H,24,25,27)