[4-(benzotriazol-1-ylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[2-(3-thienyl)pyrrolidin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[2-(3-thiophenyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[2-(3-thienyl)pyrrolidino]methanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C5=CSC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C5=CSC=C5

InChI

InChI=1S/C22H20N4OS/c27-22(25-12-3-6-20(25)18-11-13-28-15-18)17-9-7-16(8-10-17)14-26-21-5-2-1-4-19(21)23-24-26/h1-2,4-5,7-11,13,15,20H,3,6,12,14H2