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

Systemtic Name: 3-chloranyl-N-[[4-(4-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 3-chloro-N-[[5-isopropylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 3-chloro-N-[[4-(4-methoxyphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 3-chloro-N-[[4-(4-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (3-chlorophenyl)-[[5-(isopropylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]amine Formula: C19H21ClN4OS MolecularWeight: 388.91424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC=C(C=C2)OC)CNC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=C(C=C2)OC)CNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-13(2)26-19-23-22-18(12-21-15-6-4-5-14(20)11-15)24(19)16-7-9-17(25-3)10-8-16/h4-11,13,21H,12H2,1-3H3