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

Systemtic Name: (3-cyano-1-methyl-indol-2-yl)methyl carbamimidothioate Openeye Name: 2-[(3-cyano-1-methyl-indol-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (3-cyano-1-methyl-2-indolyl)methyl ester IUPAC Name: (3-cyano-1-methylindol-2-yl)methyl carbamimidothioate Traditional Name: 2-[(3-cyano-1-methyl-indol-2-yl)methyl]isothiourea Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CSC(=N)N)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CSC(=N)N)C#N

InChI

InChI=1S/C12H12N4S/c1-16-10-5-3-2-4-8(10)9(6-13)11(16)7-17-12(14)15/h2-5H,7H2,1H3,(H3,14,15)