N-[bis(azanyl)methylidene]-4-(2,4-dimethylphenyl)sulfanyl-2-methyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2,4-dimethylphenyl)sulfanyl-2-methyl-5-nitro-benzamide Openeye Name: N-(diaminomethylene)-4-(2,4-dimethylphenyl)sulfanyl-2-methyl-5-nitro-benzamide CAS Name: N-(diaminomethylidene)-4-[(2,4-dimethylphenyl)thio]-2-methyl-5-nitrobenzamide IUPAC Name: N-(diaminomethylidene)-4-(2,4-dimethylphenyl)sulfanyl-2-methyl-5-nitrobenzamide Traditional Name: N-(diaminomethylene)-4-[(2,4-dimethylphenyl)thio]-2-methyl-5-nitro-benzamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C(=C2)C)C(=O)N=C(N)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C(=C2)C)C(=O)N=C(N)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N4O3S/c1-9-4-5-14(11(3)6-9)25-15-7-10(2)12(8-13(15)21(23)24)16(22)20-17(18)19/h4-8H,1-3H3,(H4,18,19,20,22)