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

Systemtic Name: N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2Cl)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2Cl)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23ClN4O2S/c1-3-4-13-29-21-25-24-19(26(21)18-8-6-5-7-17(18)22)14-23-20(27)15-9-11-16(28-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)