3-cyano-1-propyl-2-pyridin-3-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine

Systemtic Name: 3-cyano-1-propyl-2-pyridin-3-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Openeye Name: 3-cyano-1-propyl-2-(3-pyridyl)-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine CAS Name: 3-cyano-1-propyl-2-(3-pyridinyl)-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine IUPAC Name: 3-cyano-1-propyl-2-pyridin-3-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Traditional Name: 3-cyano-1-propyl-2-(3-pyridyl)-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine Formula: C17H16N6S2 MolecularWeight: 368.47914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC3=CN=CC=C3)NC#N

Isomeric SMILES

CCCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC3=CN=CC=C3)NC#N

InChI

InChI=1S/C17H16N6S2/c1-2-8-23(13-5-6-14-15(9-13)25-17(24)22-14)16(20-11-18)21-12-4-3-7-19-10-12/h3-7,9-10H,2,8H2,1H3,(H,20,21)(H,22,24)