N-(3-methylsulfanylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline Openeye Name: N-(3-methylsulfanylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline CAS Name: N-[3-(methylthio)propyl]-4-(1,2,4-triazol-1-ylmethyl)aniline IUPAC Name: N-(3-methylsulfanylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline Traditional Name: 3-(methylthio)propyl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CSCCCNC1=CC=C(C=C1)CN2C=NC=N2

InChI

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