5-prop-2-ynylsulfanyl-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-prop-2-ynylsulfanyl-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-prop-2-ynylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole CAS Name: 5-(prop-2-ynylthio)-1-(2,4,6-trimethylphenyl)tetrazole IUPAC Name: 5-prop-2-ynylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole Traditional Name: 1-mesityl-5-(propargylthio)tetrazole Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC#C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC#C)C

InChI

InChI=1S/C13H14N4S/c1-5-6-18-13-14-15-16-17(13)12-10(3)7-9(2)8-11(12)4/h1,7-8H,6H2,2-4H3