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

Systemtic Name: [3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [3-(4-methylphenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-(benzylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-(benzylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

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