N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)acrylamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H15N5O3S/c1-3-23-14-16-15-10(2)18(14)17-13(20)8-7-11-5-4-6-12(9-11)19(21)22/h4-9H,3H2,1-2H3,(H,17,20)