N-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline

Systemtic Name: N-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline Openeye Name: N-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline CAS Name: N-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline IUPAC Name: N-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline Traditional Name: butyl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]amine Formula: C13H18N4 MolecularWeight: 230.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CCCCNC1=CC=C(C=C1)CN2C=NC=N2

InChI

InChI=1S/C13H18N4/c1-2-3-8-15-13-6-4-12(5-7-13)9-17-11-14-10-16-17/h4-7,10-11,15H,2-3,8-9H2,1H3