3-[1-methyl-2-oxidanylidene-5-(phenylmethyl)-3-propan-2-yl-imidazol-4-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 3-[1-methyl-2-oxidanylidene-5-(phenylmethyl)-3-propan-2-yl-imidazol-4-yl]sulfanylbenzenecarbonitrile Openeye Name: 3-(5-benzyl-3-isopropyl-1-methyl-2-oxo-imidazol-4-yl)sulfanylbenzonitrile CAS Name: 3-[[1-methyl-2-oxo-5-(phenylmethyl)-3-propan-2-yl-4-imidazolyl]thio]benzonitrile IUPAC Name: 3-(5-benzyl-1-methyl-2-oxo-3-propan-2-ylimidazol-4-yl)sulfanylbenzonitrile Traditional Name: 3-[(5-benzyl-3-isopropyl-2-keto-1-methyl-4-imidazolin-4-yl)thio]benzonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(N(C1=O)C)CC2=CC=CC=C2)SC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)N1C(=C(N(C1=O)C)CC2=CC=CC=C2)SC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3OS/c1-15(2)24-20(26-18-11-7-10-17(12-18)14-22)19(23(3)21(24)25)13-16-8-5-4-6-9-16/h4-12,15H,13H2,1-3H3