5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-tetrazole CAS Name: 5-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-phenyltetrazole IUPAC Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyltetrazole Traditional Name: 5-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-phenyl-tetrazole Formula: C17H21N7S MolecularWeight: 355.46054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H21N7S/c1-13-18-20-17(23(13)14-8-4-2-5-9-14)25-12-16-19-21-22-24(16)15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12H2,1H3