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

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-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide 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-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H14N6O3S3 MolecularWeight: 458.53716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=NNC(=S)N4CC=C

InChI

InChI=1S/C18H14N6O3S3/c1-3-6-23-15(21-22-18(23)28)14-9(2)19-17(30-14)20-16(25)13-8-10-7-11(24(26)27)4-5-12(10)29-13/h3-5,7-8H,1,6H2,2H3,(H,22,28)(H,19,20,25)