N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-[(4-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN4OS/c1-13-3-7-15(8-4-13)18(25)21-11-17-22-23-19(24(17)2)26-12-14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,25)