S-[(E,5S)-2-methyl-5-phenylmethoxy-hex-3-en-2-yl] imidazole-1-carbothioate

Systemtic Name: S-[(E,5S)-2-methyl-5-phenylmethoxy-hex-3-en-2-yl] imidazole-1-carbothioate Openeye Name: S-[(E,4S)-4-benzyloxy-1,1-dimethyl-pent-2-enyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid S-[(E,5S)-2-methyl-5-phenylmethoxyhex-3-en-2-yl] ester IUPAC Name: S-[(E,5S)-2-methyl-5-phenylmethoxyhex-3-en-2-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid S-[(E,4S)-4-benzoxy-1,1-dimethyl-pent-2-enyl] ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C)(C)SC(=O)N1C=CN=C1)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](/C=C/C(C)(C)SC(=O)N1C=CN=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S/c1-15(22-13-16-7-5-4-6-8-16)9-10-18(2,3)23-17(21)20-12-11-19-14-20/h4-12,14-15H,13H2,1-3H3/b10-9+/t15-/m0/s1