2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C17H22N6O3S/c1-2-22-16(12-3-4-12)20-21-17(22)27-11-15(24)19-10-9-18-13-5-7-14(8-6-13)23(25)26/h5-8,12,18H,2-4,9-11H2,1H3,(H,19,24)