2-[4-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3S2/c1-18-21(15-19-7-3-2-4-8-19)27-24(26-18)33-17-23(30)28-11-13-29(14-12-28)34(31,32)22-10-6-5-9-20(22)16-25/h2-10H,11-15,17H2,1H3,(H,26,27)