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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(S2)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(S2)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H15N3O3S2/c1-10-13(14(20)21)7-12(22-10)9-23-16-19-18-15(24-16)17-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,17,18)(H,20,21)