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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dichlorophenyl)-5-(piperonylthio)-1,2,4-triazol-4-yl]amine Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N4O2S/c17-10-2-3-11(12(18)6-10)15-20-21-16(22(15)19)25-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8,19H2