3-[3-cyclopropyl-5-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(1,5-dimethylhexylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-(1,5-dimethylhexylamino)-2-keto-ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C18H31N5O2S MolecularWeight: 381.53604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NN=C(N1CCC(=O)N)C2CC2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)CSC1=NN=C(N1CCC(=O)N)C2CC2

InChI

InChI=1S/C18H31N5O2S/c1-12(2)5-4-6-13(3)20-16(25)11-26-18-22-21-17(14-7-8-14)23(18)10-9-15(19)24/h12-14H,4-11H2,1-3H3,(H2,19,24)(H,20,25)