N-[4-(5-butylpyrimidin-2-yl)phenyl]carbamodithioate; triethylazanium

Systemtic Name: N-[4-(5-butylpyrimidin-2-yl)phenyl]carbamodithioate; triethylazanium Openeye Name: N-[4-(5-butylpyrimidin-2-yl)phenyl]carbamodithioate; triethylammonium CAS Name: N-[4-(5-butyl-2-pyrimidinyl)phenyl]carbamodithioate; triethylammonium IUPAC Name: N-[4-(5-butylpyrimidin-2-yl)phenyl]carbamodithioate; triethylazanium Traditional Name: N-[4-(5-butylpyrimidin-2-yl)phenyl]carbamodithioate; triethylammonium Formula: C21H32N4S2 MolecularWeight: 404.63558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)NC(=S)[S-].CC[NH+](CC)CC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)NC(=S)[S-].CC[NH+](CC)CC

InChI

InChI=1S/C15H17N3S2.C6H15N/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(8-6-12)18-15(19)20;1-4-7(5-2)6-3/h5-10H,2-4H2,1H3,(H2,18,19,20);4-6H2,1-3H3