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

Systemtic Name: 5-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-tetrazole CAS Name: 5-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-phenyltetrazole IUPAC Name: 5-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyltetrazole Traditional Name: 5-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-tetrazole Formula: C18H17N7S MolecularWeight: 363.43948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H17N7S/c1-2-13-8-10-14(11-9-13)17-19-18(22-21-17)26-12-16-20-23-24-25(16)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,21,22)