pyridin-3-yl 4-[5-(imidazol-1-ylmethyl)thiophen-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-pyridine-3-carboxylate

Systemtic Name: pyridin-3-yl 4-[5-(imidazol-1-ylmethyl)thiophen-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-pyridine-3-carboxylate Openeye Name: 3-pyridyl 1-allyl-4-[5-(imidazol-1-ylmethyl)-2-thienyl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 4-[5-(1-imidazolylmethyl)-2-thiophenyl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enyl-3-pyridinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-[5-(imidazol-1-ylmethyl)thiophen-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-enylpyridine-3-carboxylate Traditional Name: 1-allyl-4-[5-(imidazol-1-ylmethyl)-2-thienyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 3-pyridyl ester Formula: C30H27N5O4S MolecularWeight: 553.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1CC=C)C)C(=O)OC2=CN=CC=C2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(S4)CN5C=CN=C5

Isomeric SMILES

CC1=CC(C(=C(N1CC=C)C)C(=O)OC2=CN=CC=C2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(S4)CN5C=CN=C5

InChI

InChI=1S/C30H27N5O4S/c1-4-14-34-21(2)17-30(23-7-5-8-24(16-23)35(37)38,27-11-10-26(40-27)19-33-15-13-32-20-33)28(22(34)3)29(36)39-25-9-6-12-31-18-25/h4-13,15-18,20H,1,14,19H2,2-3H3