O-[1-(3-methoxyphenyl)hex-5-enyl] imidazole-1-carbothioate

Systemtic Name: O-[1-(3-methoxyphenyl)hex-5-enyl] imidazole-1-carbothioate Openeye Name: O-[1-(3-methoxyphenyl)hex-5-enyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[1-(3-methoxyphenyl)hex-5-enyl] ester IUPAC Name: O-[1-(3-methoxyphenyl)hex-5-enyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[1-(3-methoxyphenyl)hex-5-enyl] ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCCC=C)OC(=S)N2C=CN=C2

Isomeric SMILES

COC1=CC=CC(=C1)C(CCCC=C)OC(=S)N2C=CN=C2

InChI

InChI=1S/C17H20N2O2S/c1-3-4-5-9-16(14-7-6-8-15(12-14)20-2)21-17(22)19-11-10-18-13-19/h3,6-8,10-13,16H,1,4-5,9H2,2H3