[2-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]phenyl]methanamine

Systemtic Name: [2-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]phenyl]methanamine Openeye Name: [2-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]phenyl]methanamine CAS Name: [2-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]phenyl]methanamine IUPAC Name: [2-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]phenyl]methanamine Traditional Name: [2-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]benzyl]amine Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C(C(=C1)CN)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C16H16N4S/c17-9-14-3-1-2-4-15(14)13-7-5-12(6-8-13)10-21-16-18-11-19-20-16/h1-8,11H,9-10,17H2,(H,18,19,20)