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

Systemtic Name: 3-azanyl-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile Formula: C14H14N6S MolecularWeight: 298.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C14H14N6S/c15-8-9-10(19-20-13(9)16)5-3-7-17-14-18-11-4-1-2-6-12(11)21-14/h1-2,4,6H,3,5,7H2,(H,17,18)(H3,16,19,20)