5-(1-adamantylcarbonyl)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-thiophene-3-carbonitrile

Systemtic Name: 5-(1-adamantylcarbonyl)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-thiophene-3-carbonitrile Openeye Name: 5-(adamantane-1-carbonyl)-2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-amino-thiophene-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-5-[1-adamantyl(oxo)methyl]-4-amino-3-thiophenecarbonitrile IUPAC Name: 5-(adamantane-1-carbonyl)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-aminothiophene-3-carbonitrile Traditional Name: 5-(adamantane-1-carbonyl)-2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-amino-thiophene-3-carbonitrile Formula: C28H34N2O2S2 MolecularWeight: 494.71176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=C(S4)C(=O)C56CC7CC(C5)CC(C7)C6)N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=C(S4)C(=O)C56CC7CC(C5)CC(C7)C6)N)C#N

InChI

InChI=1S/C28H34N2O2S2/c29-13-21-23(30)24(25(32)28-10-18-4-19(11-28)6-20(5-18)12-28)34-26(21)33-14-22(31)27-7-15-1-16(8-27)3-17(2-15)9-27/h15-20H,1-12,14,30H2