4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline

Systemtic Name: 4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline Openeye Name: 4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline CAS Name: 4-[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline Traditional Name: [4-[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H18N4S/c1-3-4-9-18-13-16-15-12(17(13)2)10-5-7-11(14)8-6-10/h5-8H,3-4,9,14H2,1-2H3