methyl 4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H19N3O2S2/c1-10(2)8-16-14-17-18-15(22-14)21-9-11-4-6-12(7-5-11)13(19)20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17)