methyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanoate

Systemtic Name: methyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NN=C(N1CC=C)C

Isomeric SMILES

CCC(C(=O)OC)SC1=NN=C(N1CC=C)C

InChI

InChI=1S/C11H17N3O2S/c1-5-7-14-8(3)12-13-11(14)17-9(6-2)10(15)16-4/h5,9H,1,6-7H2,2-4H3