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

Systemtic Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzaldehyde Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CC)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-3-5-13-15-16-14(17(13)4-2)22-12-7-6-10(9-19)8-11(12)18(20)21/h6-9H,3-5H2,1-2H3