methyl 3-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(4-isopropylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[(5-cumidino-1,3,4-thiadiazol-2-yl)thio]propionic acid methyl ester Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCCC(=O)OC

InChI

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