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

Systemtic Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCCC3

InChI

InChI=1S/C18H21N5O3S/c1-2-11-22-17(13-5-3-4-6-13)20-21-18(22)27-12-16(24)19-14-7-9-15(10-8-14)23(25)26/h2,7-10,13H,1,3-6,11-12H2,(H,19,24)