N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline

Systemtic Name: N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline Openeye Name: N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline CAS Name: N-[[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]aniline Traditional Name: [4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl-phenyl-amine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)CNC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SC)CNC2=CC=CC=C2

InChI

InChI=1S/C12H16N4S/c1-3-16-11(14-15-12(16)17-2)9-13-10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3