1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)-1,2,3,4-tetrazole

Systemtic Name: 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)-1,2,3,4-tetrazole Openeye Name: 5-isobutylsulfanyl-1-(o-tolyl)tetrazole CAS Name: 1-(2-methylphenyl)-5-(2-methylpropylthio)tetrazole IUPAC Name: 1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole Traditional Name: 5-(isobutylthio)-1-(o-tolyl)tetrazole Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC(C)C

InChI

InChI=1S/C12H16N4S/c1-9(2)8-17-12-13-14-15-16(12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3