2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]thio]benzonitrile Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H23N3O2S/c1-30-21-9-6-8-20(17-21)27-13-15-28(16-14-27)25(29)22-10-3-5-12-24(22)31-23-11-4-2-7-19(23)18-26/h2-12,17H,13-16H2,1H3