2-[2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-3-methyl-piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-3-methyl-piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]-3-methyl-piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]-3-methylpiperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-[2-[(2-cyanophenyl)thio]benzoyl]-3-methyl-piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C33H26N4O2S2 MolecularWeight: 574.71514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C33H26N4O2S2/c1-23-22-36(32(38)26-12-4-8-16-30(26)40-28-14-6-2-10-24(28)20-34)18-19-37(23)33(39)27-13-5-9-17-31(27)41-29-15-7-3-11-25(29)21-35/h2-17,23H,18-19,22H2,1H3