1-[(5-isocyano-1-methyl-3-methylsulfonyl-pyrrol-2-yl)amino]-3-(2-methylphenyl)urea

Systemtic Name: 1-[(5-isocyano-1-methyl-3-methylsulfonyl-pyrrol-2-yl)amino]-3-(2-methylphenyl)urea Openeye Name: 1-[(5-isocyano-1-methyl-3-methylsulfonyl-pyrrol-2-yl)amino]-3-(o-tolyl)urea CAS Name: 1-[(5-isocyano-1-methyl-3-methylsulfonyl-2-pyrrolyl)amino]-3-(2-methylphenyl)urea IUPAC Name: 1-[(5-isocyano-1-methyl-3-methylsulfonylpyrrol-2-yl)amino]-3-(2-methylphenyl)urea Traditional Name: 1-[(5-isocyano-3-mesyl-1-methyl-pyrrol-2-yl)amino]-3-(o-tolyl)urea Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NNC2=C(C=C(N2C)[N+]#[C-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NNC2=C(C=C(N2C)[N+]#[C-])S(=O)(=O)C

InChI

InChI=1S/C15H17N5O3S/c1-10-7-5-6-8-11(10)17-15(21)19-18-14-12(24(4,22)23)9-13(16-2)20(14)3/h5-9,18H,1,3-4H3,(H2,17,19,21)