2-(1,3-benzothiazol-2-ylsulfanylmethyl)indolizine-1-carbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)indolizine-1-carbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)indolizine-1-carbonitrile CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-1-indolizinecarbonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)indolizine-1-carbonitrile Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]indolizine-1-carbonitrile Formula: C17H11N3S2 MolecularWeight: 321.41934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C17H11N3S2/c18-9-13-12(10-20-8-4-3-6-15(13)20)11-21-17-19-14-5-1-2-7-16(14)22-17/h1-8,10H,11H2