3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-nitrophenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-(4-nitrophenyl)-4-(2-oxolanylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-nitrophenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c25-24(26)17-10-8-16(9-11-17)19-21-22-20(23(19)13-18-7-4-12-27-18)28-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2