1-[3-(3-chlorophenyl)-4-isocyano-5-[(4-methoxyphenyl)methylsulfanyl]thiophen-2-yl]propan-1-one

Systemtic Name: 1-[3-(3-chlorophenyl)-4-isocyano-5-[(4-methoxyphenyl)methylsulfanyl]thiophen-2-yl]propan-1-one Openeye Name: 1-[3-(3-chlorophenyl)-4-isocyano-5-[(4-methoxyphenyl)methylsulfanyl]-2-thienyl]propan-1-one CAS Name: 1-[3-(3-chlorophenyl)-4-isocyano-5-[(4-methoxyphenyl)methylthio]-2-thiophenyl]-1-propanone IUPAC Name: 1-[3-(3-chlorophenyl)-4-isocyano-5-[(4-methoxyphenyl)methylsulfanyl]thiophen-2-yl]propan-1-one Traditional Name: 1-[3-(3-chlorophenyl)-4-isocyano-5-(p-anisylthio)-2-thienyl]propan-1-one Formula: C22H18ClNO2S2 MolecularWeight: 427.96682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)SCC2=CC=C(C=C2)OC)[N+]#[C-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)SCC2=CC=C(C=C2)OC)[N+]#[C-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H18ClNO2S2/c1-4-18(25)21-19(15-6-5-7-16(23)12-15)20(24-2)22(28-21)27-13-14-8-10-17(26-3)11-9-14/h5-12H,4,13H2,1,3H3