[2-(2-cyanoethyl)phenyl]methylcarbamodithioic acid

Systemtic Name: [2-(2-cyanoethyl)phenyl]methylcarbamodithioic acid Openeye Name: [2-(2-cyanoethyl)phenyl]methylcarbamodithioic acid CAS Name: [2-(2-cyanoethyl)phenyl]methylcarbamodithioic acid IUPAC Name: [2-(2-cyanoethyl)phenyl]methylcarbamodithioic acid Traditional Name: [2-(2-cyanoethyl)benzyl]carbamodithioic acid Formula: C11H12N2S2 MolecularWeight: 236.35638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC#N)CNC(=S)S

Isomeric SMILES

C1=CC=C(C(=C1)CCC#N)CNC(=S)S

InChI

InChI=1S/C11H12N2S2/c12-7-3-6-9-4-1-2-5-10(9)8-13-11(14)15/h1-2,4-5H,3,6,8H2,(H2,13,14,15)