4-chloranyl-N-[2-oxidanyl-1-[5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-oxidanyl-1-[5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[5-(2-anilino-1-methyl-2-oxo-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-4-chloro-benzamide CAS Name: N-[1-[5-[(1-anilino-1-oxopropan-2-yl)thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-4-chlorobenzamide IUPAC Name: N-[1-[5-(1-anilino-1-oxopropan-2-yl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-4-chlorobenzamide Traditional Name: N-[1-[5-[(2-anilino-2-keto-1-methyl-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-4-chloro-benzamide Formula: C26H24ClN5O3S MolecularWeight: 522.01846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClN5O3S/c1-17(24(34)28-20-8-4-2-5-9-20)36-26-31-30-23(32(26)21-10-6-3-7-11-21)22(16-33)29-25(35)18-12-14-19(27)15-13-18/h2-15,17,22,33H,16H2,1H3,(H,28,34)(H,29,35)