[3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]ammonium CAS Name: [3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazol-5-ylidene]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-phenyl-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]ammonium Formula: C25H26N3S+ MolecularWeight: 400.55904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+](CC3=CC=CC=C3)C(C)C)SN2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+](CC3=CC=CC=C3)C(C)C)SN2C4=CC=CC=C4

InChI

InChI=1S/C25H26N3S/c1-19(2)27(18-21-10-6-4-7-11-21)25-26-24(22-16-14-20(3)15-17-22)28(29-25)23-12-8-5-9-13-23/h4-17,19H,18H2,1-3H3/q+1