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

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-pyrazol-1-yl-benzamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-pyrazol-1-yl-benzamide Formula: C19H17N7OS2 MolecularWeight: 423.51458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C19H17N7OS2/c1-3-10-25-16(23-24-19(25)28)15-12(2)21-18(29-15)22-17(27)13-5-7-14(8-6-13)26-11-4-9-20-26/h3-9,11H,1,10H2,2H3,(H,24,28)(H,21,22,27)