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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3-chlorophenyl)-5-(piperonylthio)-1,2,4-triazol-4-yl]amine Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C16H13ClN4O2S/c17-12-3-1-2-11(7-12)15-19-20-16(21(15)18)24-8-10-4-5-13-14(6-10)23-9-22-13/h1-7H,8-9,18H2