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

Systemtic Name: 3-[3-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H25N5O2S2/c1-12-4-6-13(7-5-12)20-16(25)11-27-18-22-21-17(14-3-2-10-26-14)23(18)9-8-15(19)24/h2-3,10,12-13H,4-9,11H2,1H3,(H2,19,24)(H,20,25)