(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate

Systemtic Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate Openeye Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate CAS Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-propenoate IUPAC Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(3-nitro-4-pyrrolidino-phenyl)acrylate Formula: C16H16N5O4S- MolecularWeight: 374.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C16H17N5O4S/c1-10-17-16(19-18-10)26-14(15(22)23)9-11-4-5-12(13(8-11)21(24)25)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,22,23)(H,17,18,19)/p-1/b14-9+