4-azanylidene-1-phenyl-6-propoxy-pyridazine-3-carboxamide; 4-methoxy-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 4-azanylidene-1-phenyl-6-propoxy-pyridazine-3-carboxamide; 4-methoxy-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 4-imino-1-phenyl-6-propoxy-pyridazine-3-carboxamide; 4-methoxy-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 4-imino-1-phenyl-6-propoxy-3-pyridazinecarboxamide; 4-methoxy-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 4-imino-1-phenyl-6-propoxypyridazine-3-carboxamide; 4-methoxy-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 4-imino-1-phenyl-6-propoxy-pyridazine-3-carboxamide; 4-methoxy-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=N)C(=NN1C2=CC=CC=C2)C(=O)N.COC1=C2C=C(S2)C=C1

Isomeric SMILES

CCCOC1=CC(=N)C(=NN1C2=CC=CC=C2)C(=O)N.COC1=C2C=C(S2)C=C1

InChI

InChI=1S/C14H16N4O2.C7H6OS/c1-2-8-20-12-9-11(15)13(14(16)19)17-18(12)10-6-4-3-5-7-10;1-8-6-3-2-5-4-7(6)9-5/h3-7,9,15H,2,8H2,1H3,(H2,16,19);2-4H,1H3