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

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-3-(4-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,3-dichlorophenyl)-3-(4-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,3-dichlorophenyl)-3-(4-methyl-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,3-dichlorophenyl)-3-(4-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,3-dichlorophenyl)-3-(4-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=CSC(=C1)C2=C3CCCCN=C3N(N2)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=CSC(=C1)C2=C3CCCCN=C3N(N2)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3S/c1-11-9-15(24-10-11)17-12-5-2-3-8-21-18(12)23(22-17)14-7-4-6-13(19)16(14)20/h4,6-7,9-10,22H,2-3,5,8H2,1H3