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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-cyclohexylpropanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H25N5O2S2/c1-12(17(25)20-13-6-3-2-4-7-13)27-18-22-21-16(14-8-5-11-26-14)23(18)10-9-15(19)24/h5,8,11-13H,2-4,6-7,9-10H2,1H3,(H2,19,24)(H,20,25)