[4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C19H17ClN2OS2 MolecularWeight: 388.93408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H17ClN2OS2/c20-15-7-8-17-16(11-15)21-19(25-17)24-12-13-3-5-14(6-4-13)18(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2