6-oxidanylidene-1-(2-phenoxyethyl)-N-[(4-propylphenyl)-thiophen-2-yl-methyl]pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-[(4-propylphenyl)-thiophen-2-yl-methyl]pyridazine-3-carboxamide Openeye Name: 6-oxo-1-(2-phenoxyethyl)-N-[(4-propylphenyl)-(2-thienyl)methyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-phenoxyethyl)-N-[(4-propylphenyl)-(2-thienyl)methyl]pyridazine-3-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-2-7-20-11-13-21(14-12-20)26(24-10-6-19-34-24)28-27(32)23-15-16-25(31)30(29-23)17-18-33-22-8-4-3-5-9-22/h3-6,8-16,19,26H,2,7,17-18H2,1H3,(H,28,32)