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

Systemtic Name: [5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5OS/c1-16-6-10-18(11-7-16)21-25-23(28(26-21)22(29)20-5-4-14-30-20)24-15-17-8-12-19(13-9-17)27(2)3/h4-14H,15H2,1-3H3,(H,24,25,26)