3-[4-methyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C14H17N5O3S/c1-9(10-4-3-5-11(8-10)19(21)22)23-14-17-16-13(18(14)2)7-6-12(15)20/h3-5,8-9H,6-7H2,1-2H3,(H2,15,20)/t9-/m1/s1