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

Systemtic Name: 1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-(3-nitrophenoxy)propan-2-ol Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O4S/c25-17(12-28-18-8-4-7-16(11-18)24(26)27)13-29-20-22-21-19(14-9-10-14)23(20)15-5-2-1-3-6-15/h1-8,11,14,17,25H,9-10,12-13H2