4-[5-[(3-iodanylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-6,7-dimethyl-2-thiophen-2-yl-quinoline

Systemtic Name: 4-[5-[(3-iodanylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-6,7-dimethyl-2-thiophen-2-yl-quinoline Openeye Name: 4-[5-[(3-iodophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(2-thienyl)quinoline CAS Name: 4-[5-[(3-iodophenyl)methylthio]-4-propan-2-yl-1,2,4-triazol-3-yl]-6,7-dimethyl-2-thiophen-2-ylquinoline IUPAC Name: 4-[5-[(3-iodophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-6,7-dimethyl-2-thiophen-2-ylquinoline Traditional Name: 4-[5-[(3-iodobenzyl)thio]-4-isopropyl-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(2-thienyl)quinoline Formula: C27H25IN4S2 MolecularWeight: 596.54867

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C4=NN=C(N4C(C)C)SCC5=CC(=CC=C5)I)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C4=NN=C(N4C(C)C)SCC5=CC(=CC=C5)I)C

InChI

InChI=1S/C27H25IN4S2/c1-16(2)32-26(30-31-27(32)34-15-19-7-5-8-20(28)13-19)22-14-24(25-9-6-10-33-25)29-23-12-18(4)17(3)11-21(22)23/h5-14,16H,15H2,1-4H3