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

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SC2=C(C=CC=N2)C#N)C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SC2=C(C=CC=N2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6OS/c1-2-25-12-4-11-24-16(14-6-9-20-10-7-14)22-23-18(24)26-17-15(13-19)5-3-8-21-17/h3,5-10H,2,4,11-12H2,1H3