(2-thiophen-2-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

Systemtic Name: (2-thiophen-2-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Openeye Name: [2-(2-thienyl)pyrrolidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone CAS Name: (2-thiophen-2-yl-1-pyrrolidinyl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone IUPAC Name: (2-thiophen-2-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Traditional Name: [2-(2-thienyl)pyrrolidino]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3)C4=CC=CS4

InChI

InChI=1S/C18H18N4OS/c23-18(22-9-1-3-16(22)17-4-2-10-24-17)15-7-5-14(6-8-15)11-21-13-19-12-20-21/h2,4-8,10,12-13,16H,1,3,9,11H2