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

Systemtic Name: 3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(4-nitrophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2S/c24-23(25)17-10-6-15(7-11-17)13-26-19-21-20-18(16-8-9-16)22(19)12-14-4-2-1-3-5-14/h1-7,10-11,16H,8-9,12-13H2