4-[2-(4-propyl-1,2,4-triazol-3-yl)ethylsulfanyl]aniline

Systemtic Name: 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethylsulfanyl]aniline Openeye Name: 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethylsulfanyl]aniline CAS Name: 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethylthio]aniline IUPAC Name: 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethylsulfanyl]aniline Traditional Name: [4-[2-(4-propyl-1,2,4-triazol-3-yl)ethylthio]phenyl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NN=C1CCSC2=CC=C(C=C2)N

Isomeric SMILES

CCCN1C=NN=C1CCSC2=CC=C(C=C2)N

InChI

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