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

Systemtic Name: 1-methyl-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-6-oxopyridazine-3-carboxamide Traditional Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-14(2)13-15-6-8-16(9-7-15)20(18-5-4-12-27-18)22-21(26)17-10-11-19(25)24(3)23-17/h4-12,14,20H,13H2,1-3H3,(H,22,26)