6-methyl-4-[(Z)-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-4-[(Z)-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[(Z)-(1-benzyl-3-phenyl-pyrazol-4-yl)methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-4-[(Z)-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[(Z)-(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-[(Z)-(1-benzyl-3-phenyl-pyrazol-4-yl)methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NNC(=S)N(C1=O)/N=C\C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N6OS/c1-15-20(28)27(21(29)24-23-15)22-12-18-14-26(13-16-8-4-2-5-9-16)25-19(18)17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,24,29)/b22-12-