N-[bis(azanyl)methylidene]-2-ethynyl-4-(4-methylphenyl)-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethynyl-4-(4-methylphenyl)-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethynyl-5-methylsulfonyl-4-(p-tolyl)benzamide CAS Name: N-(diaminomethylidene)-2-ethynyl-4-(4-methylphenyl)-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethynyl-4-(4-methylphenyl)-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethynyl-5-mesyl-4-(p-tolyl)benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C(=C2)C#C)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C(=C2)C#C)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C18H17N3O3S/c1-4-12-9-14(13-7-5-11(2)6-8-13)16(25(3,23)24)10-15(12)17(22)21-18(19)20/h1,5-10H,2-3H3,(H4,19,20,21,22)