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

Systemtic Name: N-[[4-(2-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3Cl)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3Cl)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN4O3S/c1-33-19-13-11-18(12-14-19)24(32)27-15-23-28-29-25(30(23)21-10-6-5-9-20(21)26)34-16-22(31)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,27,32)