3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]-7-methyl-5-nitro-indol-2-one

Systemtic Name: 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]-7-methyl-5-nitro-indol-2-one Openeye Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]-7-methyl-5-nitro-indol-2-one CAS Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]-7-methyl-5-nitro-2-indolone IUPAC Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]-7-methyl-5-nitroindol-2-one Traditional Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]-7-methyl-5-nitro-indol-2-one Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C(C(=O)N=C12)NC3=CC=CC=C3SC4=C(NN=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C(C(=O)N=C12)NC3=CC=CC=C3SC4=C(NN=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-10-8-13(25(27)28)9-14-17(10)22-20(26)18(14)21-15-6-4-5-7-16(15)29-19-11(2)23-24-12(19)3/h4-9H,1-3H3,(H,23,24)(H,21,22,26)