2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[5-[(2-oxoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[5-[(2-ketoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SC4=C(C=CC=N4)C#N

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SC4=C(C=CC=N4)C#N

InChI

InChI=1S/C20H19N7OS/c21-12-15-6-4-10-23-19(15)29-20-25-24-17(27(20)16-7-5-9-22-13-16)14-26-11-3-1-2-8-18(26)28/h4-7,9-10,13H,1-3,8,11,14H2