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

Systemtic Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-26(2)18-12-10-16(11-13-18)15-23-22-24-20(17-7-4-3-5-8-17)25-27(22)21(28)19-9-6-14-29-19/h3-14H,15H2,1-2H3,(H,23,24,25)