[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-phenethyltriazol-4-yl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(1-phenethyl-4-triazolyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-phenethyltriazol-4-yl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(1-phenethyltriazol-4-yl)methanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N5OS/c28-22(18-15-26(25-24-18)14-12-16-7-2-1-3-8-16)27-13-6-10-19(27)21-23-17-9-4-5-11-20(17)29-21/h1-5,7-9,11,15,19H,6,10,12-14H2