3-(naphthalen-1-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(naphthalen-1-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1-naphthylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1-naphthalenylmethylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(naphthalen-1-ylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1-naphthylmethylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O3S/c1-27-18-11-16(12-19(28-2)20(18)29-3)21-24-25-22(26(21)23)30-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-12H,13,23H2,1-3H3