5-azanyl-1-(1,3-benzothiazol-2-yl)-3-(3-methylphenyl)sulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-(3-methylphenyl)sulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(m-tolylsulfanyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[(3-methylphenyl)thio]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-methylphenyl)sulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(m-tolylthio)pyrazole-4-carbonitrile Formula: C18H13N5S2 MolecularWeight: 363.45932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NN(C(=C2C#N)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NN(C(=C2C#N)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N5S2/c1-11-5-4-6-12(9-11)24-17-13(10-19)16(20)23(22-17)18-21-14-7-2-3-8-15(14)25-18/h2-9H,20H2,1H3