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

Systemtic Name: 3-(2-chlorophenyl)-5-heptylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(2-chlorophenyl)-5-heptylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(2-chlorophenyl)-5-(heptylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(2-chlorophenyl)-5-heptylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(2-chlorophenyl)-5-(heptylthio)-1,2,4-triazol-4-yl]amine Formula: C15H21ClN4S MolecularWeight: 324.87204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN=C(N1N)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCSC1=NN=C(N1N)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H21ClN4S/c1-2-3-4-5-8-11-21-15-19-18-14(20(15)17)12-9-6-7-10-13(12)16/h6-7,9-10H,2-5,8,11,17H2,1H3