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

Systemtic Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CS4)OC

InChI

InChI=1S/C22H20N4O3S/c1-28-18-11-10-16(13-19(18)29-2)21(27)26-22(23-14-17-9-6-12-30-17)24-20(25-26)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,23,24,25)