3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C18H17N3O2S2 MolecularWeight: 371.47648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C18H17N3O2S2/c1-23-15-7-4-12(10-22)9-13(15)11-25-18-20-19-17(16-3-2-8-24-16)21(18)14-5-6-14/h2-4,7-10,14H,5-6,11H2,1H3