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

Systemtic Name: (4-methylphenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: [3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-methylphenyl)-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: [3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]-(p-tolyl)methanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c1-15-9-11-17(12-10-15)20(26)25-21(22-14-18-8-5-13-27-18)23-19(24-25)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23,24)