[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H24N2O3S/c1-26-19-8-13(7-17(12-23)20(24)28)2-3-18(19)27-21(25)22-9-14-4-15(10-22)6-16(5-14)11-22/h2-3,7-8,14-16H,4-6,9-11H2,1H3,(H2,24,28)