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

Systemtic Name: (3-methylphenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: m-tolyl-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (3-methylphenyl)-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3-methylphenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: m-tolyl-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C20H17N5OS/c1-14-5-2-6-15(11-14)19(26)25-20(22-13-17-8-4-10-27-17)23-18(24-25)16-7-3-9-21-12-16/h2-12H,13H2,1H3,(H,22,23,24)