(3-methylsulfanyl-1,5-dihydro-2,4-benzodiazepin-2-yl)-(2-prop-2-enyl-4,5-dihydro-3H-pyridazin-6-yl)methanone

Systemtic Name: (3-methylsulfanyl-1,5-dihydro-2,4-benzodiazepin-2-yl)-(2-prop-2-enyl-4,5-dihydro-3H-pyridazin-6-yl)methanone Openeye Name: (2-allyl-4,5-dihydro-3H-pyridazin-6-yl)-(3-methylsulfanyl-1,5-dihydro-2,4-benzodiazepin-2-yl)methanone CAS Name: [3-(methylthio)-1,5-dihydro-2,4-benzodiazepin-2-yl]-(2-prop-2-enyl-4,5-dihydro-3H-pyridazin-6-yl)methanone IUPAC Name: (3-methylsulfanyl-1,5-dihydro-2,4-benzodiazepin-2-yl)-(2-prop-2-enyl-4,5-dihydro-3H-pyridazin-6-yl)methanone Traditional Name: (2-allyl-4,5-dihydro-3H-pyridazin-6-yl)-[3-(methylthio)-1,5-dihydro-2,4-benzodiazepin-2-yl]methanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NCC2=CC=CC=C2CN1C(=O)C3=NN(CCC3)CC=C

Isomeric SMILES

CSC1=NCC2=CC=CC=C2CN1C(=O)C3=NN(CCC3)CC=C

InChI

InChI=1S/C18H22N4OS/c1-3-10-21-11-6-9-16(20-21)17(23)22-13-15-8-5-4-7-14(15)12-19-18(22)24-2/h3-5,7-8H,1,6,9-13H2,2H3