N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H15N3OS2/c1-2-17(22)20-14-7-8-15-16(9-14)24-18(21-15)23-11-13-6-4-3-5-12(13)10-19/h3-9H,2,11H2,1H3,(H,20,22)