3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide hydrate

Systemtic Name: 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide hydrate Openeye Name: 3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxamide hydrate CAS Name: 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide hydrate IUPAC Name: 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide hydrate Traditional Name: 3-(1-phenylethyl)-2-thioxo-4-imidazoline-4-carboxamide hydrate Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=CNC2=S)C(=O)N.O

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=CNC2=S)C(=O)N.O

InChI

InChI=1S/C12H13N3OS.H2O/c1-8(9-5-3-2-4-6-9)15-10(11(13)16)7-14-12(15)17;/h2-8H,1H3,(H2,13,16)(H,14,17);1H2