N-(3-acetamidophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-acetamidophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-acetamidophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-acetamidophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-acetamidophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-acetamidophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)COC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)COC

InChI

InChI=1S/C21H23N5O3S/c1-15(27)22-16-7-6-8-17(13-16)23-20(28)11-12-30-21-25-24-19(14-29-2)26(21)18-9-4-3-5-10-18/h3-10,13H,11-12,14H2,1-2H3,(H,22,27)(H,23,28)