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

Systemtic Name: 3,6-bis(azanyl)-2-(4-nitrophenyl)carbonyl-4-propan-2-yl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-4-isopropyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-nitrophenyl)-oxomethyl]-4-propan-2-yl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-nitrobenzoyl)-4-propan-2-ylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-4-isopropyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C18H16N5O3S+ MolecularWeight: 382.41634

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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)[N+](=O)[O-])N)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O3S/c1-8(2)12-11(7-19)17(21)22-18-13(12)14(20)16(27-18)15(24)9-3-5-10(6-4-9)23(25)26/h3-6,8H,20H2,1-2H3,(H2,21,22)/p+1