5-methylsulfanyl-4-[4-(1-phenyl-5-propyl-pyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboximidamide

Systemtic Name: 5-methylsulfanyl-4-[4-(1-phenyl-5-propyl-pyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboximidamide Openeye Name: 5-methylsulfanyl-4-[4-(1-phenyl-5-propyl-pyrazol-4-yl)thiazol-2-yl]thiophene-2-carboxamidine CAS Name: 5-(methylthio)-4-[4-(1-phenyl-5-propyl-4-pyrazolyl)-2-thiazolyl]-2-thiophenecarboximidamide IUPAC Name: 5-methylsulfanyl-4-[4-(1-phenyl-5-propylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboximidamide Traditional Name: 5-(methylthio)-4-[4-(1-phenyl-5-propyl-pyrazol-4-yl)thiazol-2-yl]thiophene-2-carboxamidine Formula: C21H21N5S3 MolecularWeight: 439.61994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C3=CSC(=N3)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C3=CSC(=N3)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C21H21N5S3/c1-3-7-17-15(11-24-26(17)13-8-5-4-6-9-13)16-12-28-20(25-16)14-10-18(19(22)23)29-21(14)27-2/h4-6,8-12H,3,7H2,1-2H3,(H3,22,23)