3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(1-naphthalenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(1-naphthylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H20N6OS/c1-30-18-11-9-16(10-12-18)20-13-21(26-25-20)22-27-28-23(29(22)24)31-14-17-7-4-6-15-5-2-3-8-19(15)17/h2-13H,14,24H2,1H3,(H,25,26)