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

Systemtic Name: N-(3-acetamidophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-acetamidophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-acetamidophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-acetamidophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-acetamidophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-14(21(29)24-18-8-6-7-17(13-18)23-15(2)28)30-22-25-20(16-11-12-16)27(26-22)19-9-4-3-5-10-19/h3-10,13-14,16H,11-12H2,1-2H3,(H,23,28)(H,24,29)