5-azanyl-3-[3-(1,3-benzothiazol-2-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-(1,3-benzothiazol-2-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-(1,3-benzothiazol-2-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-(1,3-benzothiazol-2-ylamino)propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-(1,3-benzothiazol-2-ylamino)propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-(1,3-benzothiazol-2-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C20H18N6S MolecularWeight: 374.46212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC4=CC=CC=C4S3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC4=CC=CC=C4S3)C#N)N

InChI

InChI=1S/C20H18N6S/c21-13-15-16(25-26(19(15)22)14-7-2-1-3-8-14)10-6-12-23-20-24-17-9-4-5-11-18(17)27-20/h1-5,7-9,11H,6,10,12,22H2,(H,23,24)