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

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-18-9-8-12-20(15-18)25(32)27-16-24-28-29-26(30(24)21-13-6-7-14-23(21)33-2)34-17-22(31)19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3,(H,27,32)