[2-(cyanomethyl)phenyl]methyl carbamimidothioate

Systemtic Name: [2-(cyanomethyl)phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-(cyanomethyl)phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-(cyanomethyl)phenyl]methyl ester IUPAC Name: [2-(cyanomethyl)phenyl]methyl carbamimidothioate Traditional Name: 2-[2-(cyanomethyl)benzyl]isothiourea Formula: C10H11N3S MolecularWeight: 205.27944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3S/c11-6-5-8-3-1-2-4-9(8)7-14-10(12)13/h1-4H,5,7H2,(H3,12,13)