(S)-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenyl-methanol

Systemtic Name: (S)-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenyl-methanol Openeye Name: (S)-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenyl-methanol CAS Name: (S)-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-phenylmethanol IUPAC Name: (S)-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol Traditional Name: (S)-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-phenyl-methanol Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)O

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C17H16N4O3S/c1-20-16(15(22)13-5-3-2-4-6-13)18-19-17(20)25-11-12-7-9-14(10-8-12)21(23)24/h2-10,15,22H,11H2,1H3/t15-/m0/s1