2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)propionamide Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C20H24N6O2S2/c1-13(19(28)22-14-6-8-15(9-7-14)25(2)3)30-20-24-23-18(16-5-4-12-29-16)26(20)11-10-17(21)27/h4-9,12-13H,10-11H2,1-3H3,(H2,21,27)(H,22,28)