4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-isopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylthio]-5-propan-2-yl-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-isopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-10(2)14-16-17-15(18(14)12-7-8-12)22-9-11-3-5-13(6-4-11)19(20)21/h3-6,10,12H,7-9H2,1-2H3