3-hexylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-hexylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-hexylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(hexylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-hexylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(hexylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C15H22N4OS MolecularWeight: 306.42638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(N1N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCSC1=NN=C(N1N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H22N4OS/c1-3-4-5-6-11-21-15-18-17-14(19(15)16)12-7-9-13(20-2)10-8-12/h7-10H,3-6,11,16H2,1-2H3