[3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [3,5-bis[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [3,5-bis(veratrylamino)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H27N5O5S/c1-32-18-9-7-16(12-20(18)34-3)14-26-24-28-25(30(29-24)23(31)22-6-5-11-36-22)27-15-17-8-10-19(33-2)21(13-17)35-4/h5-13H,14-15H2,1-4H3,(H2,26,27,28,29)