N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-cyclopropyl-N-p-anisyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-27-18-11-7-15(8-12-18)13-25(17-9-10-17)19(26)14-28-21-22-20(23-24-21)16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,22,23,24)