3-chloranyl-6-fluoranyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboximidate

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-chloro-6-fluoro-benzothiophene-2-carboximidate CAS Name: 3-chloro-6-fluoro-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-1-benzothiophene-2-carboximidate IUPAC Name: 3-chloro-6-fluoro-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-chloro-6-fluoro-benzothiophene-2-carboximidate Formula: C18H12ClFN5OS3- MolecularWeight: 464.967183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(C2=C(C3=C(S2)C=C(C=C3)F)Cl)[O-])C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)N=C(C2=C(C3=C(S2)C=C(C=C3)F)Cl)[O-])C4=NNC(=S)N4CC=C

InChI

InChI=1S/C18H13ClFN5OS3/c1-3-6-25-15(23-24-18(25)27)13-8(2)21-17(29-13)22-16(26)14-12(19)10-5-4-9(20)7-11(10)28-14/h3-5,7H,1,6H2,2H3,(H,24,27)(H,21,22,26)/p-1