1-(3-nitrophenoxy)-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

Systemtic Name: 1-(3-nitrophenoxy)-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Openeye Name: 1-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-(3-nitrophenoxy)-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: 1-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-(3-nitrophenoxy)propan-2-ol Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H22N4O4S/c29-21(16-32-22-13-7-12-20(15-22)28(30)31)17-33-24-26-25-23(14-18-8-3-1-4-9-18)27(24)19-10-5-2-6-11-19/h1-13,15,21,29H,14,16-17H2