methyl 4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate

Systemtic Name: methyl 4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate Openeye Name: methyl 4-(1-isopropyltetrazol-5-yl)sulfanylbutanoate CAS Name: 4-[(1-propan-2-yl-5-tetrazolyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(1-propan-2-yltetrazol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-isopropyltetrazol-5-yl)thio]butyric acid methyl ester Formula: C9H16N4O2S MolecularWeight: 244.31394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCCCC(=O)OC

Isomeric SMILES

CC(C)N1C(=NN=N1)SCCCC(=O)OC

InChI

InChI=1S/C9H16N4O2S/c1-7(2)13-9(10-11-12-13)16-6-4-5-8(14)15-3/h7H,4-6H2,1-3H3