2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C17H19N5O3S/c1-3-10-21-16(12-4-5-12)18-19-17(21)26-11-15(23)20(2)13-6-8-14(9-7-13)22(24)25/h3,6-9,12H,1,4-5,10-11H2,2H3