2-methyl-5-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furoic acid Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=C(O3)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=C(O3)C)C(=O)O

InChI

InChI=1S/C16H15N3O3S2/c1-9-5-3-4-6-13(9)17-15-18-19-16(24-15)23-8-11-7-12(14(20)21)10(2)22-11/h3-7H,8H2,1-2H3,(H,17,18)(H,20,21)