3-butan-2-ylsulfanyl-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-butan-2-ylsulfanyl-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-nitrophenyl)-5-sec-butylsulfanyl-1,2,4-triazole CAS Name: 3-(butan-2-ylthio)-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-butan-2-ylsulfanyl-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-nitrophenyl)-5-(sec-butylthio)-1,2,4-triazole Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-4-9-18-14(16-17-15(18)22-11(3)5-2)12-7-6-8-13(10-12)19(20)21/h4,6-8,10-11H,1,5,9H2,2-3H3