N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(1,2,3-triazol-1-yl)phenyl]methanamine

Systemtic Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(1,2,3-triazol-1-yl)phenyl]methanamine Openeye Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(triazol-1-yl)phenyl]methanamine CAS Name: N-methyl-1-[2-[4-(methylthio)phenoxy]-5-(1-triazolyl)phenyl]methanamine IUPAC Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(triazol-1-yl)phenyl]methanamine Traditional Name: methyl-[2-[4-(methylthio)phenoxy]-5-(triazol-1-yl)benzyl]amine Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2C=CN=N2)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2C=CN=N2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C17H18N4OS/c1-18-12-13-11-14(21-10-9-19-20-21)3-8-17(13)22-15-4-6-16(23-2)7-5-15/h3-11,18H,12H2,1-2H3