N-methyl-1-(1-phenylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine

Systemtic Name: N-methyl-1-(1-phenylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine Openeye Name: N-methyl-1-(1-phenylpyrazol-4-yl)-N-tetrahydrothiophen-3-yl-ethane-1,2-diamine CAS Name: N-methyl-1-(1-phenyl-4-pyrazolyl)-N-(3-thiolanyl)ethane-1,2-diamine IUPAC Name: N-methyl-1-(1-phenylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine Traditional Name: [2-amino-1-(1-phenylpyrazol-4-yl)ethyl]-methyl-tetrahydrothiophen-3-yl-amine Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C(CN)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C1CCSC1)C(CN)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4S/c1-19(15-7-8-21-12-15)16(9-17)13-10-18-20(11-13)14-5-3-2-4-6-14/h2-6,10-11,15-16H,7-9,12,17H2,1H3