6-chloranyl-4-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4H-3,1-benzothiazine

Systemtic Name: 6-chloranyl-4-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4H-3,1-benzothiazine Openeye Name: 6-chloro-4-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4H-3,1-benzothiazine CAS Name: 6-chloro-4-phenyl-2-[2-(1-pyrrolidinyl)ethylthio]-4H-3,1-benzothiazine IUPAC Name: 6-chloro-4-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4H-3,1-benzothiazine Traditional Name: 6-chloro-4-phenyl-2-(2-pyrrolidinoethylthio)-4H-3,1-benzothiazine Formula: C20H21ClN2S2 MolecularWeight: 388.97714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC3=C(C=C(C=C3)Cl)C(S2)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCSC2=NC3=C(C=C(C=C3)Cl)C(S2)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN2S2/c21-16-8-9-18-17(14-16)19(15-6-2-1-3-7-15)25-20(22-18)24-13-12-23-10-4-5-11-23/h1-3,6-9,14,19H,4-5,10-13H2