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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-(1-naphthylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C21H20N4O2S/c1-26-18-11-10-15(12-19(18)27-2)20-23-24-21(25(20)22)28-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-12H,13,22H2,1-2H3