N-(phenylmethyl)-2-[(4-prop-2-enyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[(4-prop-2-enyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: N-(phenylmethyl)-2-[[4-prop-2-enyl-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzyl-2-[(4-prop-2-enyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N5OS/c1-2-14-28-22(20-13-12-18-10-6-7-11-19(18)25-20)26-27-23(28)30-16-21(29)24-15-17-8-4-3-5-9-17/h2-13H,1,14-16H2,(H,24,29)