N-cyclopropyl-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopropyl-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC(=O)NC3CC3

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC(=O)NC3CC3

InChI

InChI=1S/C16H21N5OS/c1-3-8-21-14(10-13-5-4-9-20(13)2)18-19-16(21)23-11-15(22)17-12-6-7-12/h3-5,9,12H,1,6-8,10-11H2,2H3,(H,17,22)