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

Systemtic Name: 3-chloranyl-N-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-aniline Openeye Name: N-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methyl]-3-chloro-4-methyl-aniline CAS Name: 3-chloro-N-[[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-methylaniline IUPAC Name: N-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methyl]-3-chloro-4-methylaniline Traditional Name: [5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl-(3-chloro-4-methyl-phenyl)amine Formula: C19H21ClN4S MolecularWeight: 372.91484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4S/c1-3-24-18(12-21-16-10-9-14(2)17(20)11-16)22-23-19(24)25-13-15-7-5-4-6-8-15/h4-11,21H,3,12-13H2,1-2H3