4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(4-nitrobenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C17H16N4O2S2/c22-21(23)14-5-3-12(4-6-14)11-25-17-19-18-16(20(17)13-7-8-13)10-15-2-1-9-24-15/h1-6,9,13H,7-8,10-11H2