4-(5-ethylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)-7-nitro-phthalazin-1-one

Systemtic Name: 4-(5-ethylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)-7-nitro-phthalazin-1-one Openeye Name: 4-(5-ethyl-2-thienyl)-2-(2-imidazol-1-ylethyl)-7-nitro-phthalazin-1-one CAS Name: 4-(5-ethyl-2-thiophenyl)-2-[2-(1-imidazolyl)ethyl]-7-nitro-1-phthalazinone IUPAC Name: 4-(5-ethylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)-7-nitrophthalazin-1-one Traditional Name: 4-(5-ethyl-2-thienyl)-2-(2-imidazol-1-ylethyl)-7-nitro-phthalazin-1-one Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NN(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CCN4C=CN=C4

Isomeric SMILES

CCC1=CC=C(S1)C2=NN(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CCN4C=CN=C4

InChI

InChI=1S/C19H17N5O3S/c1-2-14-4-6-17(28-14)18-15-5-3-13(24(26)27)11-16(15)19(25)23(21-18)10-9-22-8-7-20-12-22/h3-8,11-12H,2,9-10H2,1H3