(3-cyano-1-benzothiophen-2-yl)methyl carbamimidothioate

Systemtic Name: (3-cyano-1-benzothiophen-2-yl)methyl carbamimidothioate Openeye Name: 2-[(3-cyanobenzothiophen-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (3-cyano-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-cyano-1-benzothiophen-2-yl)methyl carbamimidothioate Traditional Name: 2-[(3-cyanobenzothiophen-2-yl)methyl]isothiourea Formula: C11H9N3S2 MolecularWeight: 247.33926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CSC(=N)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CSC(=N)N)C#N

InChI

InChI=1S/C11H9N3S2/c12-5-8-7-3-1-2-4-9(7)16-10(8)6-15-11(13)14/h1-4H,6H2,(H3,13,14)