N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-5-nitro-thiophene-2-carboximidate

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-5-nitro-thiophene-2-carboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-5-nitro-thiophene-2-carboximidate CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-5-nitro-2-thiophenecarboximidate IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-5-nitro-thiophene-2-carboximidate Formula: C14H11N6O3S3- MolecularWeight: 407.47054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(C2=CC=C(S2)[N+](=O)[O-])[O-])C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)N=C(C2=CC=C(S2)[N+](=O)[O-])[O-])C3=NNC(=S)N3CC=C

InChI

InChI=1S/C14H12N6O3S3/c1-3-6-19-11(17-18-14(19)24)10-7(2)15-13(26-10)16-12(21)8-4-5-9(25-8)20(22)23/h3-5H,1,6H2,2H3,(H,18,24)(H,15,16,21)/p-1