(3-methyl-1-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methanamine

Systemtic Name: (3-methyl-1-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methanamine Openeye Name: (3-methyl-1-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methanamine CAS Name: [3-methyl-1-phenyl-5-(phenylthio)-4-pyrazolyl]methanamine IUPAC Name: (3-methyl-1-phenyl-5-phenylsulfanylpyrazol-4-yl)methanamine Traditional Name: [3-methyl-1-phenyl-5-(phenylthio)pyrazol-4-yl]methylamine Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CN)SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-13-16(12-18)17(21-15-10-6-3-7-11-15)20(19-13)14-8-4-2-5-9-14/h2-11H,12,18H2,1H3