4-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H20ClN3O3S/c1-25-17-10-14(11-21)2-4-16(17)26-13-19(24)23-8-6-22(7-9-23)12-15-3-5-18(20)27-15/h2-5,10H,6-9,12-13H2,1H3