methyl N-[[4-methyl-6-(phenylsulfonylcarbamoylamino)-1,3,5-triazin-2-yl]amino]carbamodithioate

Systemtic Name: methyl N-[[4-methyl-6-(phenylsulfonylcarbamoylamino)-1,3,5-triazin-2-yl]amino]carbamodithioate Openeye Name: methyl N-[[4-(benzenesulfonylcarbamoylamino)-6-methyl-1,3,5-triazin-2-yl]amino]carbamodithioate CAS Name: N-[[4-[[benzenesulfonamido(oxo)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamodithioic acid methyl ester IUPAC Name: methyl N-[[4-(benzenesulfonylcarbamoylamino)-6-methyl-1,3,5-triazin-2-yl]amino]carbamodithioate Traditional Name: N-[[4-(besylcarbamoylamino)-6-methyl-s-triazin-2-yl]amino]carbamodithioic acid methyl ester Formula: C13H15N7O3S3 MolecularWeight: 413.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NNC(=S)SC)NC(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=NC(=N1)NNC(=S)SC)NC(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N7O3S3/c1-8-14-10(16-11(15-8)18-19-13(24)25-2)17-12(21)20-26(22,23)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,19,24)(H3,14,15,16,17,18,20,21)