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

Systemtic Name: 4-chloranyl-N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-chloro-aniline CAS Name: 4-chloro-N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-chloroaniline Traditional Name: [5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl-(4-chlorophenyl)amine Formula: C17H17ClN4S MolecularWeight: 344.86168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN4S/c1-22-16(11-19-15-9-7-14(18)8-10-15)20-21-17(22)23-12-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3