1-phenyl-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2,3,4-tetrazole

Systemtic Name: 1-phenyl-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2,3,4-tetrazole Openeye Name: 1-phenyl-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]tetrazole CAS Name: 1-phenyl-5-[[(2,4,6-trimethylphenyl)thio]methyl]tetrazole IUPAC Name: 1-phenyl-5-[(2,4,6-trimethylphenyl)sulfanylmethyl]tetrazole Traditional Name: 5-[(mesitylthio)methyl]-1-phenyl-tetrazole Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4S/c1-12-9-13(2)17(14(3)10-12)22-11-16-18-19-20-21(16)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3