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

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[4-(ethylthio)benzyl]-1,4-diazepane Formula: C20H29ClN4S MolecularWeight: 392.98906

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C20H29ClN4S/c1-4-26-18-8-6-17(7-9-18)14-24-10-5-11-25(13-12-24)15-19-16(2)22-23(3)20(19)21/h6-9H,4-5,10-15H2,1-3H3