1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C=NC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CCN2C=NC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H17N5OS/c22-15(7-9-20-11-17-10-18-20)21-8-3-5-13(21)16-19-12-4-1-2-6-14(12)23-16/h1-2,4,6,10-11,13H,3,5,7-9H2