N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyanomethylsulfanyl)ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyanomethylsulfanyl)ethanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyanomethylsulfanyl)acetamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyanomethylthio)acetamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyanomethylsulfanyl)acetamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(cyanomethylthio)acetamide Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)CSCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)CSCC#N

InChI

InChI=1S/C18H15N3OS2/c19-9-10-23-12-17(22)20-14-7-5-13(6-8-14)11-18-21-15-3-1-2-4-16(15)24-18/h1-8H,10-12H2,(H,20,22)