4-chloranyl-N-[2-oxidanyl-1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-oxidanyl-1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-chloro-N-[2-hydroxy-1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-chloro-N-[2-hydroxy-1-[5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-chloro-N-[2-hydroxy-1-[5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-chloro-N-[2-hydroxy-1-[5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C(CO)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C(CO)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4O3S/c26-19-13-11-18(12-14-19)24(32)27-22(17-31)23-28-29-25(30(23)20-7-3-1-4-8-20)34-16-15-33-21-9-5-2-6-10-21/h1-14,22,31H,15-17H2,(H,27,32)