methyl 3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-methyl-propanoate

Systemtic Name: methyl 3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-methyl-propanoate Openeye Name: methyl 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-propanoate CAS Name: 3-[(1-cyclopropyl-5-tetrazolyl)thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(1-cyclopropyltetrazol-5-yl)thio]-2-methyl-propionic acid methyl ester Formula: C9H14N4O2S MolecularWeight: 242.29806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=NN1C2CC2)C(=O)OC

Isomeric SMILES

CC(CSC1=NN=NN1C2CC2)C(=O)OC

InChI

InChI=1S/C9H14N4O2S/c1-6(8(14)15-2)5-16-9-10-11-12-13(9)7-3-4-7/h6-7H,3-5H2,1-2H3