3-ethylsulfanyl-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole hydrochloride

Systemtic Name: 3-ethylsulfanyl-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole hydrochloride Openeye Name: 4-allyl-3-ethylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole hydrochloride CAS Name: 3-(ethylthio)-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole hydrochloride IUPAC Name: 3-ethylsulfanyl-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole hydrochloride Traditional Name: 4-allyl-3-(ethylthio)-5-(4-nitrophenyl)-1,2,4-triazole hydrochloride Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H14N4O2S.ClH/c1-3-9-16-12(14-15-13(16)20-4-2)10-5-7-11(8-6-10)17(18)19;/h3,5-8H,1,4,9H2,2H3;1H