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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1-naphthylmethyl)-5-(piperonylthio)-1,2,4-triazol-4-yl]amine Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H18N4O2S/c22-25-20(11-16-6-3-5-15-4-1-2-7-17(15)16)23-24-21(25)28-12-14-8-9-18-19(10-14)27-13-26-18/h1-10H,11-13,22H2