4-[5-(4-chloranylcyclohexa-2,4-dien-1-yl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thiomorpholine

Systemtic Name: 4-[5-(4-chloranylcyclohexa-2,4-dien-1-yl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thiomorpholine Openeye Name: 4-[5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thiomorpholine CAS Name: 4-[5-(4-chloro-1-cyclohexa-2,4-dienyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thiomorpholine IUPAC Name: 4-[5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thiomorpholine Traditional Name: 4-[5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thiomorpholine Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NNC(=C2C3=CC=NC=C3)C4CC=C(C=C4)Cl

Isomeric SMILES

C1CSCCN1C2=NNC(=C2C3=CC=NC=C3)C4CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN4S/c19-15-3-1-14(2-4-15)17-16(13-5-7-20-8-6-13)18(22-21-17)23-9-11-24-12-10-23/h1,3-8,14H,2,9-12H2,(H,21,22)