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

Systemtic Name: 3-[3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C20H24N6O2S2/c1-25(2)15-7-5-14(6-8-15)12-22-18(28)13-30-20-24-23-19(16-4-3-11-29-16)26(20)10-9-17(21)27/h3-8,11H,9-10,12-13H2,1-2H3,(H2,21,27)(H,22,28)