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

Systemtic Name: 4-[[5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-(methoxymethyl)-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SC4=C(C=C(C=C4)C=O)[N+](=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SC4=C(C=C(C=C4)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-29-13-20-22-23-21(30-19-10-9-14(12-26)11-18(19)25(27)28)24(20)17-8-4-6-15-5-2-3-7-16(15)17/h2-12H,13H2,1H3