4-[2-(1H-imidazol-5-yl)-2-[4-(3-methylthiophen-2-yl)-3-oxidanylidene-piperazin-1-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1H-imidazol-5-yl)-2-[4-(3-methylthiophen-2-yl)-3-oxidanylidene-piperazin-1-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-(1H-imidazol-5-yl)-2-[4-(3-methyl-2-thienyl)-3-oxo-piperazin-1-yl]ethyl]benzonitrile CAS Name: 4-[2-(1H-imidazol-5-yl)-2-[4-(3-methyl-2-thiophenyl)-3-oxo-1-piperazinyl]ethyl]benzonitrile IUPAC Name: 4-[2-(1H-imidazol-5-yl)-2-[4-(3-methylthiophen-2-yl)-3-oxopiperazin-1-yl]ethyl]benzonitrile Traditional Name: 4-[2-(1H-imidazol-5-yl)-2-[3-keto-4-(3-methyl-2-thienyl)piperazino]ethyl]benzonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)N2CCN(CC2=O)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

Isomeric SMILES

CC1=C(SC=C1)N2CCN(CC2=O)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

InChI

InChI=1S/C21H21N5OS/c1-15-6-9-28-21(15)26-8-7-25(13-20(26)27)19(18-12-23-14-24-18)10-16-2-4-17(11-22)5-3-16/h2-6,9,12,14,19H,7-8,10,13H2,1H3,(H,23,24)