N-(4-chloranyl-3-nitro-phenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C17H14ClN5O3S2 MolecularWeight: 435.90776

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H14ClN5O3S2/c1-2-7-22-16(14-4-3-8-27-14)20-21-17(22)28-10-15(24)19-11-5-6-12(18)13(9-11)23(25)26/h2-6,8-9H,1,7,10H2,(H,19,24)