1-(4-chloranyl-5-methyl-2-methylsulfanyl-phenyl)sulfonyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-prop-2-enyl-guanidine

Systemtic Name: 1-(4-chloranyl-5-methyl-2-methylsulfanyl-phenyl)sulfonyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-prop-2-enyl-guanidine Openeye Name: 2-allyl-1-(4-chloro-5-methyl-2-methylsulfanyl-phenyl)sulfonyl-3-[(E)-(5-nitro-2-furyl)methyleneamino]guanidine CAS Name: 1-[4-chloro-5-methyl-2-(methylthio)phenyl]sulfonyl-3-[(E)-(5-nitro-2-furanyl)methylideneamino]-2-prop-2-enylguanidine IUPAC Name: 1-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-prop-2-enylguanidine Traditional Name: 2-allyl-1-[4-chloro-5-methyl-2-(methylthio)phenyl]sulfonyl-3-[(E)-(5-nitro-2-furyl)methyleneamino]guanidine Formula: C17H18ClN5O5S2 MolecularWeight: 471.93832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=NCC=C)NN=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=NCC=C)N/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O5S2/c1-4-7-19-17(21-20-10-12-5-6-16(28-12)23(24)25)22-30(26,27)15-8-11(2)13(18)9-14(15)29-3/h4-6,8-10H,1,7H2,2-3H3,(H2,19,21,22)/b20-10+