2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]ethanamide

Systemtic Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methyleneamino]acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide Traditional Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(E)-[4-(diethylamino)benzylidene]amino]acetamide Formula: C22H25BrN6OS MolecularWeight: 501.4425

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN6OS/c1-4-29(5-2)19-11-9-16(10-12-19)14-24-25-20(30)15-31-22-27-26-21(28(22)3)17-7-6-8-18(23)13-17/h6-14H,4-5,15H2,1-3H3,(H,25,30)/b24-14+