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

Systemtic Name: 4-methyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-methyl-3-pyrrol-1-yl-benzamide CAS Name: 4-methyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-(1-pyrrolyl)benzamide IUPAC Name: 4-methyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-methyl-3-pyrrol-1-yl-benzamide Formula: C21H20N6OS2 MolecularWeight: 436.5531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)N4C=CC=C4

InChI

InChI=1S/C21H20N6OS2/c1-4-9-27-18(24-25-21(27)29)17-14(3)22-20(30-17)23-19(28)15-8-7-13(2)16(12-15)26-10-5-6-11-26/h4-8,10-12H,1,9H2,2-3H3,(H,25,29)(H,22,23,28)