3-azanyl-4-cyano-5-[(4-methylphenyl)amino]-N-[4-(4-nitrophenyl)sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-5-[(4-methylphenyl)amino]-N-[4-(4-nitrophenyl)sulfanylphenyl]thiophene-2-carboxamide Openeye Name: 3-amino-4-cyano-5-(4-methylanilino)-N-[4-(4-nitrophenyl)sulfanylphenyl]thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-5-(4-methylanilino)-N-[4-[(4-nitrophenyl)thio]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-5-(4-methylanilino)-N-[4-(4-nitrophenyl)sulfanylphenyl]thiophene-2-carboxamide Traditional Name: 3-amino-4-cyano-N-[4-[(4-nitrophenyl)thio]phenyl]-5-(p-toluidino)thiophene-2-carboxamide Formula: C25H19N5O3S2 MolecularWeight: 501.58006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C25H19N5O3S2/c1-15-2-4-17(5-3-15)29-25-21(14-26)22(27)23(35-25)24(31)28-16-6-10-19(11-7-16)34-20-12-8-18(9-13-20)30(32)33/h2-13,29H,27H2,1H3,(H,28,31)