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

Systemtic Name: 3-chloranyl-N-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methyl]-3-chloro-aniline CAS Name: 3-chloro-N-[[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methyl]-3-chloroaniline Traditional Name: [5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl-(3-chlorophenyl)amine Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4S/c1-2-23-17(12-20-16-10-6-9-15(19)11-16)21-22-18(23)24-13-14-7-4-3-5-8-14/h3-11,20H,2,12-13H2,1H3