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

Systemtic Name: 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C17H15N5O4S/c1-26-9-8-21-16(13-4-6-18-7-5-13)19-20-17(21)27-15-3-2-12(11-23)10-14(15)22(24)25/h2-7,10-11H,8-9H2,1H3