4-chloranyl-N2-ethyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzene-1,2-diamine

Systemtic Name: 4-chloranyl-N2-ethyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzene-1,2-diamine Openeye Name: 4-chloro-N2-ethyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzene-1,2-diamine CAS Name: 4-chloro-N2-ethyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzene-1,2-diamine IUPAC Name: 4-chloro-2-N-ethyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzene-1,2-diamine Traditional Name: [6-amino-3-chloro-2-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]phenyl]-ethyl-amine Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1OC2=CC=CC=C2CN3C=NC=N3)Cl)N

Isomeric SMILES

CCNC1=C(C=CC(=C1OC2=CC=CC=C2CN3C=NC=N3)Cl)N

InChI

InChI=1S/C17H18ClN5O/c1-2-21-16-14(19)8-7-13(18)17(16)24-15-6-4-3-5-12(15)9-23-11-20-10-22-23/h3-8,10-11,21H,2,9,19H2,1H3