5-(1-adamantylcarbonyl)-4-azanyl-2-[(phenylmethyl)amino]thiophene-3-carbonitrile

Systemtic Name: 5-(1-adamantylcarbonyl)-4-azanyl-2-[(phenylmethyl)amino]thiophene-3-carbonitrile Openeye Name: 5-(adamantane-1-carbonyl)-4-amino-2-(benzylamino)thiophene-3-carbonitrile CAS Name: 5-[1-adamantyl(oxo)methyl]-4-amino-2-[(phenylmethyl)amino]-3-thiophenecarbonitrile IUPAC Name: 5-(adamantane-1-carbonyl)-4-amino-2-(benzylamino)thiophene-3-carbonitrile Traditional Name: 5-(adamantane-1-carbonyl)-4-amino-2-(benzylamino)thiophene-3-carbonitrile Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C(=C(S4)NCC5=CC=CC=C5)C#N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C(=C(S4)NCC5=CC=CC=C5)C#N)N

InChI

InChI=1S/C23H25N3OS/c24-12-18-19(25)20(28-22(18)26-13-14-4-2-1-3-5-14)21(27)23-9-15-6-16(10-23)8-17(7-15)11-23/h1-5,15-17,26H,6-11,13,25H2