2-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanylpyrimidine

Systemtic Name: 2-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanylpyrimidine Openeye Name: 2-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanylpyrimidine CAS Name: 2-[[(2E,4Z)-4-ethylhexa-2,4-dienyl]thio]pyrimidine IUPAC Name: 2-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanylpyrimidine Traditional Name: 2-[[(2E,4Z)-4-ethylhexa-2,4-dienyl]thio]pyrimidine Formula: C12H16N2S MolecularWeight: 220.33384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C=CCSC1=NC=CC=N1

Isomeric SMILES

CC/C(=C/C)/C=C/CSC1=NC=CC=N1

InChI

InChI=1S/C12H16N2S/c1-3-11(4-2)7-5-10-15-12-13-8-6-9-14-12/h3,5-9H,4,10H2,1-2H3/b7-5+,11-3-