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

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-o-phenetyl-propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H24N4O2S/c1-3-28-19-12-8-7-11-18(19)23-21(27)15(2)29-22-25-24-20(16-13-14-16)26(22)17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,23,27)/t15-/m0/s1