methyl N-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamimidothioate Openeye Name: 1-cyano-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamimidothioate Traditional Name: 1-cyano-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-isothiourea Formula: C12H12N4S2 MolecularWeight: 276.38048

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=C(C2=C(S1)CCCC2)C#N)NC#N

Isomeric SMILES

CS/C(=N\C1=C(C2=C(S1)CCCC2)C#N)/NC#N

InChI

InChI=1S/C12H12N4S2/c1-17-12(15-7-14)16-11-9(6-13)8-4-2-3-5-10(8)18-11/h2-5H2,1H3,(H,15,16)