3-[4-methyl-5-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-[benzyl(isopropyl)amino]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-[benzyl(isopropyl)amino]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C18H25N5O2S/c1-13(2)23(11-14-7-5-4-6-8-14)17(25)12-26-18-21-20-16(22(18)3)10-9-15(19)24/h4-8,13H,9-12H2,1-3H3,(H2,19,24)