3-(2-methoxyphenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2-methoxyphenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(2-methoxyphenyl)-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(2-methoxyphenyl)-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(2-methoxyphenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(2-methoxyphenyl)-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1C=CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C22H19N5O2S/c1-29-19-9-3-2-6-16(19)10-11-20(28)27-22(24-15-18-8-5-13-30-18)25-21(26-27)17-7-4-12-23-14-17/h2-14H,15H2,1H3,(H,24,25,26)