4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H23N5O3S/c1-16(24(32)27-19-13-11-17(12-14-19)22(26)31)34-25-29-28-23(18-7-6-10-21(15-18)33-2)30(25)20-8-4-3-5-9-20/h3-16H,1-2H3,(H2,26,31)(H,27,32)