1-[3,5-bis(chloranyl)phenyl]-3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]-3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3,5-dichlorophenyl)-3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3,5-dichlorophenyl)-3-(5-methyl-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3,5-dichlorophenyl)-3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3,5-dichlorophenyl)-3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H17Cl2N3S MolecularWeight: 378.31868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C3CCCCN=C3N(N2)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(S1)C2=C3CCCCN=C3N(N2)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3S/c1-11-5-6-16(24-11)17-15-4-2-3-7-21-18(15)23(22-17)14-9-12(19)8-13(20)10-14/h5-6,8-10,22H,2-4,7H2,1H3