3-phenethyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: 3-phenethyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: 3-phenethyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-phenethyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-phenethyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-phenethyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CNC2=S)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CNC2=S)C(=O)N

InChI

InChI=1S/C12H13N3OS/c13-11(16)10-8-14-12(17)15(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,16)(H,14,17)