[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylene]ammonium CAS Name: [4-(3,5-diphenyl-1-pyrazolyl)phenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(3,5-diphenylpyrazol-1-yl)benzylidene]ammonium Formula: C26H24N5S+ MolecularWeight: 438.56726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N[NH+]=CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCNC(=S)N[NH+]=CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5S/c1-2-17-27-26(32)29-28-19-20-13-15-23(16-14-20)31-25(22-11-7-4-8-12-22)18-24(30-31)21-9-5-3-6-10-21/h2-16,18-19H,1,17H2,(H2,27,29,32)/p+1