azane; 4-ethyl-3-(pyridin-4-ylmethyl)-5-thia-2-azabicyclo[2.1.0]pent-1-ene

Systemtic Name: azane; 4-ethyl-3-(pyridin-4-ylmethyl)-5-thia-2-azabicyclo[2.1.0]pent-1-ene Openeye Name: ammonia; 4-ethyl-3-(4-pyridylmethyl)-5-thia-2-azabicyclo[2.1.0]pent-1-ene CAS Name: ammonia; 4-ethyl-3-(pyridin-4-ylmethyl)-5-thia-2-azabicyclo[2.1.0]pent-1-ene IUPAC Name: azane; 4-ethyl-3-(pyridin-4-ylmethyl)-5-thia-2-azabicyclo[2.1.0]pent-1-ene Traditional Name: ammonia; 4-ethyl-3-(4-pyridylmethyl)-5-thia-2-azabicyclo[2.1.0]pent-1-ene Formula: C11H15N3S MolecularWeight: 221.3219

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(N=C1S2)CC3=CC=NC=C3.N

Isomeric SMILES

CCC12C(N=C1S2)CC3=CC=NC=C3.N

InChI

InChI=1S/C11H12N2S.H3N/c1-2-11-9(13-10(11)14-11)7-8-3-5-12-6-4-8;/h3-6,9H,2,7H2,1H3;1H3