3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=CN2N

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=CN2N

InChI

InChI=1S/C11H12N4O2S/c1-17-10-3-2-8(5-16)4-9(10)6-18-11-14-13-7-15(11)12/h2-5,7H,6,12H2,1H3