2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methyleneamino]acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(E)-[4-(dimethylamino)benzylidene]amino]acetamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN6OS/c1-26(2)17-10-4-14(5-11-17)12-22-23-18(28)13-29-20-25-24-19(27(20)3)15-6-8-16(21)9-7-15/h4-12H,13H2,1-3H3,(H,23,28)/b22-12+