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

Systemtic Name: 2-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoic acid Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15N3O3S2/c1-2-25-18-21-20-17(26-18)19-15(22)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(23)24/h3-10H,2H2,1H3,(H,23,24)(H,19,20,22)