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

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzenecarboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzenecarboximidate CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-(1-pyrrolidinylsulfonyl)benzenecarboximidate IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzenecarboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-pyrrolidinosulfonyl-benzenecarboximidate Formula: C20H21N6O3S3- MolecularWeight: 489.61414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[O-])C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[O-])C4=NNC(=S)N4CC=C

InChI

InChI=1S/C20H22N6O3S3/c1-3-9-26-17(23-24-20(26)30)16-13(2)21-19(31-16)22-18(27)14-7-6-8-15(12-14)32(28,29)25-10-4-5-11-25/h3,6-8,12H,1,4-5,9-11H2,2H3,(H,24,30)(H,21,22,27)/p-1