[4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)C)SC#N

InChI

InChI=1S/C20H19N5OS2/c1-13-8-16(28-12-21)9-14(2)19(13)24-18(26)11-27-20-23-17(10-25(20)22)15-6-4-3-5-7-15/h3-10H,11,22H2,1-2H3,(H,24,26)