1-butyl-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrazole

Systemtic Name: 1-butyl-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrazole Openeye Name: 1-butyl-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole CAS Name: 1-butyl-5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]tetrazole IUPAC Name: 1-butyl-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole Traditional Name: 1-butyl-5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]tetrazole Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N7S/c1-2-3-14-26-18(21-24-25-26)15-28-20-23-22-19(16-10-6-4-7-11-16)27(20)17-12-8-5-9-13-17/h4-13H,2-3,14-15H2,1H3