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

Systemtic Name: 3-(naphthalen-1-ylmethylsulfanyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Openeye Name: 3-(1-naphthylmethylsulfanyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine CAS Name: 3-(1-naphthalenylmethylthio)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine IUPAC Name: 3-(naphthalen-1-ylmethylsulfanyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Traditional Name: [3-(1-naphthylmethylthio)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-yl]amine Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6S/c23-28-21(20-13-19(24-25-20)16-8-2-1-3-9-16)26-27-22(28)29-14-17-11-6-10-15-7-4-5-12-18(15)17/h1-13H,14,23H2,(H,24,25)