3-butylsulfanyl-5-phenyl-1,2,4-triazol-4-amine

Systemtic Name: 3-butylsulfanyl-5-phenyl-1,2,4-triazol-4-amine Openeye Name: 3-butylsulfanyl-5-phenyl-1,2,4-triazol-4-amine CAS Name: 3-(butylthio)-5-phenyl-1,2,4-triazol-4-amine IUPAC Name: 3-butylsulfanyl-5-phenyl-1,2,4-triazol-4-amine Traditional Name: [3-(butylthio)-5-phenyl-1,2,4-triazol-4-yl]amine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C12H16N4S/c1-2-3-9-17-12-15-14-11(16(12)13)10-7-5-4-6-8-10/h4-8H,2-3,9,13H2,1H3