3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C18H26N6O2S MolecularWeight: 390.50304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)CCC(=O)N

InChI

InChI=1S/C18H26N6O2S/c1-4-24-16(10-9-15(19)25)21-22-18(24)27-12-17(26)20-11-13-5-7-14(8-6-13)23(2)3/h5-8H,4,9-12H2,1-3H3,(H2,19,25)(H,20,26)