N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine

Systemtic Name: N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine Openeye Name: N-[(E)-3-(4-chlorophenyl)allyl]-3-pyrimidin-2-ylsulfanyl-propan-1-amine CAS Name: N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3-(2-pyrimidinylthio)-1-propanamine IUPAC Name: N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine Traditional Name: [(E)-3-(4-chlorophenyl)allyl]-[3-(2-pyrimidylthio)propyl]amine Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCNCC=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCCCNC/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN3S/c17-15-7-5-14(6-8-15)4-1-9-18-10-3-13-21-16-19-11-2-12-20-16/h1-2,4-8,11-12,18H,3,9-10,13H2/b4-1+