5,6-dimethyl-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile Traditional Name: 5,6-dimethyl-3-[4-(2-thenyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)N2CCCN(CC2)CC3=CC=CS3)C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)N2CCCN(CC2)CC3=CC=CS3)C#N

InChI

InChI=1S/C17H21N5S/c1-13-14(2)19-20-17(16(13)11-18)22-7-4-6-21(8-9-22)12-15-5-3-10-23-15/h3,5,10H,4,6-9,12H2,1-2H3