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

Systemtic Name: 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H15N3O3S2/c25-18(16-10-3-4-11-17(16)19(26)27)22-20-23-24-21(29-20)28-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,26,27)(H,22,23,25)