2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: N-prop-2-ynyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: N-propargyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC#C)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC#C)N3CCCC3

InChI

InChI=1S/C18H21N5OS/c1-3-10-19-16(24)13-25-18-21-20-17(22-11-4-5-12-22)23(18)15-8-6-14(2)7-9-15/h1,6-9H,4-5,10-13H2,2H3,(H,19,24)