(2R)-N-(4-methoxy-2-nitro-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: (2R)-N-(4-methoxy-2-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-methoxy-2-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)S[C@H](C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-5-8-20-11(3)18-19-16(20)26-10(2)15(22)17-13-7-6-12(25-4)9-14(13)21(23)24/h5-7,9-10H,1,8H2,2-4H3,(H,17,22)/t10-/m1/s1