3,6-bis(azanyl)-2-(4-chlorophenyl)carbonyl-4-propan-2-yl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(4-chlorophenyl)carbonyl-4-propan-2-yl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-chlorobenzoyl)-4-isopropyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-chlorophenyl)-oxomethyl]-4-propan-2-yl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-chlorobenzoyl)-4-propan-2-ylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-chlorobenzoyl)-4-isopropyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C18H16ClN4OS+ MolecularWeight: 371.86384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)N)C#N

InChI

InChI=1S/C18H15ClN4OS/c1-8(2)12-11(7-20)17(22)23-18-13(12)14(21)16(25-18)15(24)9-3-5-10(19)6-4-9/h3-6,8H,21H2,1-2H3,(H2,22,23)/p+1