3-(3-methylbutylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(3-methylbutylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-isopentylsulfanyl-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-(3-methylbutylthio)-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(3-methylbutylsulfanyl)-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-(isoamylthio)-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NNC(=N1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCSC1=NNC(=N1)NC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-10(2)8-9-18-13-15-12(16-17-13)14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,14,15,16,17)