N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3-chloranyl-aniline

Systemtic Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3-chloranyl-aniline Openeye Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3-chloro-aniline CAS Name: N-[[5-[(4-tert-butylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3-chloroaniline IUPAC Name: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3-chloroaniline Traditional Name: [5-[(4-tert-butylbenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl-(3-chlorophenyl)amine Formula: C28H31ClN4S MolecularWeight: 491.09054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H31ClN4S/c1-28(2,3)23-14-12-22(13-15-23)20-34-27-32-31-26(19-30-25-11-7-10-24(29)18-25)33(27)17-16-21-8-5-4-6-9-21/h4-15,18,30H,16-17,19-20H2,1-3H3