4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile Openeye Name: 4-(4-chloro-5-methoxy-2-methyl-anilino)-8-nitro-benzothiopheno[3,2-b]pyridine-3-carbonitrile CAS Name: 4-(4-chloro-5-methoxy-2-methylanilino)-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile IUPAC Name: 4-(4-chloro-5-methoxy-2-methylanilino)-8-nitro-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile Traditional Name: 4-(4-chloro-5-methoxy-2-methyl-anilino)-8-nitro-benzothiopheno[3,2-b]pyridine-3-carbonitrile Formula: C20H13ClN4O3S MolecularWeight: 424.86022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C3C(=NC=C2C#N)C4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C3C(=NC=C2C#N)C4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C20H13ClN4O3S/c1-10-5-14(21)16(28-2)7-15(10)24-18-11(8-22)9-23-19-13-6-12(25(26)27)3-4-17(13)29-20(18)19/h3-7,9H,1-2H3,(H,23,24)