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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4O3S/c1-2-21-16(12-4-6-13(18)7-5-12)19-20-17(21)26-15-8-3-11(10-23)9-14(15)22(24)25/h3-10H,2H2,1H3