6-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[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=NC=C(C=C2)C#N)C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SC2=NC=C(C=C2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6OS/c1-2-25-11-3-10-24-17(15-6-8-20-9-7-15)22-23-18(24)26-16-5-4-14(12-19)13-21-16/h4-9,13H,2-3,10-11H2,1H3