1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepane Formula: C17H25ClN4S2 MolecularWeight: 384.9902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC=C(S3)SC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC=C(S3)SC)Cl)C

InChI

InChI=1S/C17H25ClN4S2/c1-13-15(17(18)20(2)19-13)12-22-8-4-7-21(9-10-22)11-14-5-6-16(23-3)24-14/h5-6H,4,7-12H2,1-3H3