4-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(1-naphthylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-[(1-naphthalenylmethylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-[(1-naphthylmethylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C27H20N4O3S2 MolecularWeight: 512.6027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])CSCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])CSCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H20N4O3S2/c32-16-19-13-14-25(24(15-19)31(33)34)36-27-29-28-26(30(27)22-10-2-1-3-11-22)18-35-17-21-9-6-8-20-7-4-5-12-23(20)21/h1-16H,17-18H2