4-[(3-bromophenyl)amino]-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile Openeye Name: 4-(3-bromoanilino)benzothiopheno[3,2-b]pyridine-3-carbonitrile CAS Name: 4-(3-bromoanilino)-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile IUPAC Name: 4-(3-bromoanilino)-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile Traditional Name: 4-(3-bromoanilino)benzothiopheno[3,2-b]pyridine-3-carbonitrile Formula: C18H10BrN3S MolecularWeight: 380.2611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=NC=C(C(=C3S2)NC4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=NC=C(C(=C3S2)NC4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C18H10BrN3S/c19-12-4-3-5-13(8-12)22-16-11(9-20)10-21-17-14-6-1-2-7-15(14)23-18(16)17/h1-8,10H,(H,21,22)