2-[[5-[[(3-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: 2-[[5-[[(3-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[5-(m-toluidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-18-10-9-13-21(16-18)26-17-23-28-29-25(30(23)22-14-7-4-8-15-22)32-19(2)24(31)27-20-11-5-3-6-12-20/h3-16,19,26H,17H2,1-2H3,(H,27,31)